# generated using pymatgen
data_SmAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.73320450
_cell_length_b   28.90057835
_cell_length_c   46.50813070
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl2
_chemical_formula_sum   'Sm192 Al384'
_cell_volume   28107.4044619
_cell_formula_units_Z   192
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sm  Sm1  1  0.479762  0.473272  0.333971  1
  Sm  Sm2  1  0.979974  0.473213  0.333835  1
  Sm  Sm3  1  0.913510  0.841379  0.297069  1
  Sm  Sm4  1  0.051230  0.114492  0.373163  1
  Sm  Sm5  1  0.412712  0.843058  0.297476  1
  Sm  Sm6  1  0.550846  0.114474  0.373529  1
  Sm  Sm7  1  0.640468  0.544298  0.355444  1
  Sm  Sm8  1  0.140518  0.544406  0.355295  1
  Sm  Sm9  1  0.072359  0.910686  0.317209  1
  Sm  Sm10  1  0.505344  0.273964  0.281590  1
  Sm  Sm11  1  0.574937  0.910700  0.317205  1
  Sm  Sm12  1  1.003493  0.270235  0.281826  1
  Sm  Sm13  1  0.947304  0.657700  0.314897  1
  Sm  Sm14  1  0.446978  0.657699  0.314898  1
  Sm  Sm15  1  0.084245  0.932760  0.390663  1
  Sm  Sm16  1  0.515562  0.294463  0.356286  1
  Sm  Sm17  1  0.882341  0.028124  0.279825  1
  Sm  Sm18  1  0.015550  0.294420  0.356283  1
  Sm  Sm19  1  0.175197  0.363233  0.375183  1
  Sm  Sm20  1  0.674971  0.363133  0.375216  1
  Sm  Sm21  1  0.606954  0.727625  0.335814  1
  Sm  Sm22  1  0.045727  0.100908  0.297966  1
  Sm  Sm23  1  0.107937  0.728378  0.335616  1
  Sm  Sm24  1  0.521130  0.088175  0.298621  1
  Sm  Sm25  1  0.697097  0.657618  0.314915  1
  Sm  Sm26  1  0.197341  0.658105  0.314798  1
  Sm  Sm27  1  0.135305  0.027711  0.280634  1
  Sm  Sm28  1  0.265766  0.293579  0.356031  1
  Sm  Sm29  1  0.629013  0.027712  0.280639  1
  Sm  Sm30  1  0.764491  0.293606  0.356044  1
  Sm  Sm31  1  0.424807  0.363134  0.375217  1
  Sm  Sm32  1  0.924695  0.363242  0.375187  1
  Sm  Sm33  1  0.857252  0.727617  0.335816  1
  Sm  Sm34  1  0.303670  0.088032  0.298615  1
  Sm  Sm35  1  0.357038  0.728376  0.335615  1
  Sm  Sm36  1  0.791694  0.100984  0.297958  1
  Sm  Sm37  1  0.730176  0.473257  0.333965  1
  Sm  Sm38  1  0.229906  0.473218  0.333836  1
  Sm  Sm39  1  0.166982  0.843027  0.297472  1
  Sm  Sm40  1  0.300261  0.114477  0.373525  1
  Sm  Sm41  1  0.664543  0.841384  0.297068  1
  Sm  Sm42  1  0.799912  0.114488  0.373176  1
  Sm  Sm43  1  0.390295  0.544186  0.355359  1
  Sm  Sm44  1  0.890521  0.544182  0.355356  1
  Sm  Sm45  1  0.824248  0.911885  0.316767  1
  Sm  Sm46  1  0.252083  0.269786  0.282153  1
  Sm  Sm47  1  0.329809  0.923057  0.314428  1
  Sm  Sm48  1  0.754478  0.269644  0.282172  1
  Sm  Sm49  1  0.186554  0.386368  0.448697  1
  Sm  Sm50  1  0.686602  0.386500  0.448805  1
  Sm  Sm51  1  0.618486  0.750300  0.408999  1
  Sm  Sm52  1  0.755000  0.023044  0.484444  1
  Sm  Sm53  1  0.118725  0.750520  0.408844  1
  Sm  Sm54  1  0.254646  0.023060  0.484972  1
  Sm  Sm55  1  0.345665  0.454648  0.466591  1
  Sm  Sm56  1  0.845634  0.454650  0.466591  1
  Sm  Sm57  1  0.777668  0.818711  0.427392  1
  Sm  Sm58  1  0.209671  0.181513  0.393391  1
  Sm  Sm59  1  0.277677  0.818726  0.427313  1
  Sm  Sm60  1  0.708479  0.181516  0.393402  1
  Sm  Sm61  1  0.652374  0.568105  0.428814  1
  Sm  Sm62  1  0.152409  0.568174  0.428594  1
  Sm  Sm63  1  0.788940  0.841218  0.501826  1
  Sm  Sm64  1  0.220581  0.204565  0.467558  1
  Sm  Sm65  1  0.585143  0.932759  0.390660  1
  Sm  Sm66  1  0.720662  0.204566  0.467562  1
  Sm  Sm67  1  0.879665  0.272697  0.486233  1
  Sm  Sm68  1  0.379693  0.272846  0.486358  1
  Sm  Sm69  1  0.311603  0.636557  0.446463  1
  Sm  Sm70  1  0.743817  1.000872  0.409582  1
  Sm  Sm71  1  0.811554  0.636482  0.446655  1
  Sm  Sm72  1  0.242742  1.000524  0.410937  1
  Sm  Sm73  1  0.402349  0.568080  0.428713  1
  Sm  Sm74  1  0.902372  0.568079  0.428712  1
  Sm  Sm75  1  0.834846  0.933067  0.390260  1
  Sm  Sm76  1  0.970615  0.204547  0.467552  1
  Sm  Sm77  1  0.334548  0.932447  0.390735  1
  Sm  Sm78  1  0.470754  0.204835  0.468038  1
  Sm  Sm79  1  0.129699  0.272696  0.486230  1
  Sm  Sm80  1  0.629817  0.272847  0.486360  1
  Sm  Sm81  1  0.561557  0.636483  0.446655  1
  Sm  Sm82  1  0.993679  1.000875  0.409580  1
  Sm  Sm83  1  0.061583  0.636555  0.446463  1
  Sm  Sm84  1  0.494409  1.000522  0.410937  1
  Sm  Sm85  1  0.436564  0.386500  0.448805  1
  Sm  Sm86  1  0.936486  0.386371  0.448699  1
  Sm  Sm87  1  0.868446  0.750297  0.408999  1
  Sm  Sm88  1  0.004718  0.023044  0.484443  1
  Sm  Sm89  1  0.368432  0.750528  0.408840  1
  Sm  Sm90  1  0.505087  0.023058  0.484973  1
  Sm  Sm91  1  0.095642  0.454631  0.466477  1
  Sm  Sm92  1  0.595713  0.454777  0.466721  1
  Sm  Sm93  1  0.527693  0.818629  0.427411  1
  Sm  Sm94  1  0.959187  0.181716  0.393854  1
  Sm  Sm95  1  0.027558  0.818625  0.427412  1
  Sm  Sm96  1  0.459680  0.182723  0.394766  1
  Sm  Sm97  1  0.891006  0.295307  0.560672  1
  Sm  Sm98  1  0.391034  0.295404  0.560780  1
  Sm  Sm99  1  0.323229  0.659388  0.520771  1
  Sm  Sm100  1  0.459200  0.931920  0.594452  1
  Sm  Sm101  1  0.822949  0.659377  0.521083  1
  Sm  Sm102  1  0.959326  0.932136  0.594321  1
  Sm  Sm103  1  0.050182  0.363679  0.578482  1
  Sm  Sm104  1  0.550289  0.363895  0.578654  1
  Sm  Sm105  1  0.482197  0.727468  0.539016  1
  Sm  Sm106  1  0.913898  0.091128  0.503820  1
  Sm  Sm107  1  0.981922  0.727469  0.539015  1
  Sm  Sm108  1  0.413921  0.091179  0.504237  1
  Sm  Sm109  1  0.357276  0.477698  0.540935  1
  Sm  Sm110  1  0.857097  0.477697  0.540936  1
  Sm  Sm111  1  0.493138  0.750066  0.612656  1
  Sm  Sm112  1  0.925083  0.113449  0.578693  1
  Sm  Sm113  1  0.288924  0.841180  0.501869  1
  Sm  Sm114  1  0.425100  0.113484  0.578897  1
  Sm  Sm115  1  0.584051  0.181257  0.598125  1
  Sm  Sm116  1  0.083936  0.181248  0.598025  1
  Sm  Sm117  1  0.016108  0.545954  0.558563  1
  Sm  Sm118  1  0.448096  0.909347  0.520681  1
  Sm  Sm119  1  0.516482  0.546194  0.558954  1
  Sm  Sm120  1  0.947892  0.909398  0.520592  1
  Sm  Sm121  1  0.107071  0.477463  0.540686  1
  Sm  Sm122  1  0.607247  0.477818  0.541057  1
  Sm  Sm123  1  0.539080  0.841163  0.501857  1
  Sm  Sm124  1  0.675185  0.113484  0.578782  1
  Sm  Sm125  1  0.038749  0.841165  0.501856  1
  Sm  Sm126  1  0.175015  0.113484  0.578780  1
  Sm  Sm127  1  0.834024  0.181249  0.598025  1
  Sm  Sm128  1  0.333916  0.181257  0.598124  1
  Sm  Sm129  1  0.266504  0.545954  0.558564  1
  Sm  Sm130  1  0.698161  0.909397  0.520593  1
  Sm  Sm131  1  0.766371  0.546195  0.558954  1
  Sm  Sm132  1  0.197908  0.909347  0.520680  1
  Sm  Sm133  1  0.141002  0.295305  0.560671  1
  Sm  Sm134  1  0.641072  0.295405  0.560782  1
  Sm  Sm135  1  0.573089  0.659377  0.521083  1
  Sm  Sm136  1  0.709510  0.932135  0.594322  1
  Sm  Sm137  1  0.072822  0.659388  0.520770  1
  Sm  Sm138  1  0.209421  0.931920  0.594451  1
  Sm  Sm139  1  0.800241  0.363784  0.578567  1
  Sm  Sm140  1  0.300227  0.363782  0.578565  1
  Sm  Sm141  1  0.232111  0.727569  0.538800  1
  Sm  Sm142  1  0.664084  0.091142  0.503984  1
  Sm  Sm143  1  0.732073  0.727495  0.539189  1
  Sm  Sm144  1  0.163722  0.091142  0.503982  1
  Sm  Sm145  1  0.595009  0.203112  0.671737  1
  Sm  Sm146  1  0.094887  0.203135  0.671672  1
  Sm  Sm147  1  0.027863  0.569948  0.631975  1
  Sm  Sm148  1  0.163466  0.843359  0.707118  1
  Sm  Sm149  1  0.528385  0.570450  0.632531  1
  Sm  Sm150  1  0.663587  0.843114  0.706927  1
  Sm  Sm151  1  0.755399  0.273779  0.692338  1
  Sm  Sm152  1  0.255099  0.273777  0.692337  1
  Sm  Sm153  1  0.188049  0.639458  0.650241  1
  Sm  Sm154  1  0.618207  0.999651  0.614977  1
  Sm  Sm155  1  0.688634  0.640638  0.654505  1
  Sm  Sm156  1  0.118152  0.999652  0.614976  1
  Sm  Sm157  1  0.061961  0.387218  0.651342  1
  Sm  Sm158  1  0.561870  0.387030  0.651423  1
  Sm  Sm159  1  0.198435  0.660276  0.724239  1
  Sm  Sm160  1  0.624998  0.013158  0.690373  1
  Sm  Sm161  1  0.993600  0.750067  0.612652  1
  Sm  Sm162  1  0.124988  0.013156  0.690372  1
  Sm  Sm163  1  0.286562  0.086813  0.708735  1
  Sm  Sm164  1  0.786626  0.086798  0.708684  1
  Sm  Sm165  1  0.722310  0.457761  0.672277  1
  Sm  Sm166  1  0.153522  0.818692  0.632315  1
  Sm  Sm167  1  0.222044  0.458352  0.672345  1
  Sm  Sm168  1  0.653258  0.819285  0.631939  1
  Sm  Sm169  1  0.812134  0.387100  0.651395  1
  Sm  Sm170  1  0.311673  0.387097  0.651393  1
  Sm  Sm171  1  0.243729  0.750778  0.612442  1
  Sm  Sm172  1  0.375417  0.014005  0.690293  1
  Sm  Sm173  1  0.743480  0.750281  0.612999  1
  Sm  Sm174  1  0.875444  0.014059  0.690189  1
  Sm  Sm175  1  0.536984  0.086811  0.708736  1
  Sm  Sm176  1  0.036906  0.086793  0.708683  1
  Sm  Sm177  1  0.972968  0.458360  0.672349  1
  Sm  Sm178  1  0.401840  0.818689  0.632320  1
  Sm  Sm179  1  0.472103  0.457758  0.672276  1
  Sm  Sm180  1  0.902701  0.819288  0.631937  1
  Sm  Sm181  1  0.844988  0.203137  0.671672  1
  Sm  Sm182  1  0.344841  0.203110  0.671736  1
  Sm  Sm183  1  0.278743  0.569944  0.631973  1
  Sm  Sm184  1  0.416386  0.843355  0.707118  1
  Sm  Sm185  1  0.778720  0.570451  0.632532  1
  Sm  Sm186  1  0.916020  0.843105  0.706924  1
  Sm  Sm187  1  0.505223  0.273729  0.692366  1
  Sm  Sm188  1  0.005307  0.273895  0.692318  1
  Sm  Sm189  1  0.939398  0.640276  0.654407  1
  Sm  Sm190  1  0.368098  0.999487  0.615092  1
  Sm  Sm191  1  0.437511  0.640278  0.654409  1
  Sm  Sm192  1  0.868140  0.999572  0.614945  1
  Al  Al193  1  0.600342  0.464006  0.301630  1
  Al  Al194  1  0.100259  0.463840  0.301470  1
  Al  Al195  1  0.737666  0.738722  0.371796  1
  Al  Al196  1  0.173666  0.103603  0.335155  1
  Al  Al197  1  0.238181  0.739741  0.371462  1
  Al  Al198  1  0.666556  0.103594  0.335174  1
  Al  Al199  1  0.327552  0.418420  0.355769  1
  Al  Al200  1  0.827518  0.418418  0.355766  1
  Al  Al201  1  0.760159  0.783678  0.316420  1
  Al  Al202  1  0.897100  0.057566  0.391468  1
  Al  Al203  1  0.261701  0.786744  0.316136  1
  Al  Al204  1  0.397137  0.057634  0.393686  1
  Al  Al205  1  0.707542  0.554369  0.292721  1
  Al  Al206  1  0.207546  0.554577  0.292644  1
  Al  Al207  1  0.845993  0.830551  0.362325  1
  Al  Al208  1  0.278922  0.191415  0.326885  1
  Al  Al209  1  0.346200  0.832536  0.361706  1
  Al  Al210  1  0.775166  0.193916  0.328992  1
  Al  Al211  1  0.583475  0.554376  0.292723  1
  Al  Al212  1  0.083674  0.554578  0.292645  1
  Al  Al213  1  0.721177  0.830551  0.362324  1
  Al  Al214  1  0.155405  0.193902  0.328919  1
  Al  Al215  1  0.222950  0.832516  0.361712  1
  Al  Al216  1  0.649156  0.191435  0.326894  1
  Al  Al217  1  0.066815  0.646965  0.284238  1
  Al  Al218  1  0.566517  0.646630  0.284284  1
  Al  Al219  1  0.203819  0.921636  0.354082  1
  Al  Al220  1  0.634803  0.282915  0.318857  1
  Al  Al221  1  0.704780  0.922242  0.353118  1
  Al  Al222  1  0.134765  0.283096  0.319152  1
  Al  Al223  1  0.793332  0.599893  0.337130  1
  Al  Al224  1  0.293296  0.600124  0.337035  1
  Al  Al225  1  0.223982  0.967463  0.299961  1
  Al  Al226  1  0.362162  0.238587  0.374688  1
  Al  Al227  1  0.728094  0.971108  0.298299  1
  Al  Al228  1  0.862126  0.238916  0.374915  1
  Al  Al229  1  0.880009  0.647534  0.381313  1
  Al  Al230  1  0.379851  0.647687  0.381212  1
  Al  Al231  1  0.311712  0.013332  0.347529  1
  Al  Al232  1  0.741601  0.370987  0.310680  1
  Al  Al233  1  0.812492  0.014623  0.343966  1
  Al  Al234  1  0.241377  0.371209  0.310787  1
  Al  Al235  1  0.754280  0.647533  0.381346  1
  Al  Al236  1  0.254349  0.647893  0.381155  1
  Al  Al237  1  0.187444  0.013104  0.345462  1
  Al  Al238  1  0.617338  0.372059  0.311054  1
  Al  Al239  1  0.687857  0.014341  0.344339  1
  Al  Al240  1  0.116599  0.371468  0.310785  1
  Al  Al241  1  0.816680  0.646625  0.284285  1
  Al  Al242  1  0.316721  0.646970  0.284238  1
  Al  Al243  1  0.954074  0.922236  0.353120  1
  Al  Al244  1  0.384806  0.282926  0.318861  1
  Al  Al245  1  0.454433  0.921652  0.354073  1
  Al  Al246  1  0.885043  0.283113  0.319168  1
  Al  Al247  1  0.543168  0.599899  0.337131  1
  Al  Al248  1  0.043428  0.600123  0.337034  1
  Al  Al249  1  0.979631  0.971095  0.298299  1
  Al  Al250  1  0.113464  0.238898  0.374895  1
  Al  Al251  1  0.480050  0.967548  0.299959  1
  Al  Al252  1  0.613073  0.238589  0.374687  1
  Al  Al253  1  0.629868  0.647537  0.381345  1
  Al  Al254  1  0.130157  0.647892  0.381155  1
  Al  Al255  1  0.063091  0.014339  0.344336  1
  Al  Al256  1  0.491388  0.372066  0.311059  1
  Al  Al257  1  0.562270  0.013113  0.345459  1
  Al  Al258  1  0.991528  0.371468  0.310788  1
  Al  Al259  1  0.504142  0.647538  0.381314  1
  Al  Al260  1  0.004448  0.647683  0.381213  1
  Al  Al261  1  0.938712  0.014601  0.343971  1
  Al  Al262  1  0.366077  0.371025  0.310688  1
  Al  Al263  1  0.438231  0.013356  0.347500  1
  Al  Al264  1  0.866476  0.371196  0.310779  1
  Al  Al265  1  0.850195  0.463590  0.301493  1
  Al  Al266  1  0.350079  0.463604  0.301498  1
  Al  Al267  1  0.987887  0.738790  0.371699  1
  Al  Al268  1  0.420836  0.105040  0.340032  1
  Al  Al269  1  0.487517  0.738796  0.371698  1
  Al  Al270  1  0.920263  0.103952  0.336842  1
  Al  Al271  1  0.577782  0.418906  0.355955  1
  Al  Al272  1  0.077695  0.418735  0.355775  1
  Al  Al273  1  0.010850  0.783990  0.316306  1
  Al  Al274  1  0.445809  0.155143  0.283734  1
  Al  Al275  1  0.509777  0.783997  0.316303  1
  Al  Al276  1  0.943327  0.150220  0.283431  1
  Al  Al277  1  0.957582  0.554408  0.292652  1
  Al  Al278  1  0.457372  0.554321  0.292687  1
  Al  Al279  1  0.096343  0.830535  0.362380  1
  Al  Al280  1  0.527708  0.194830  0.329537  1
  Al  Al281  1  0.596159  0.830348  0.362411  1
  Al  Al282  1  0.028004  0.194724  0.329493  1
  Al  Al283  1  0.833595  0.554321  0.292687  1
  Al  Al284  1  0.333472  0.554415  0.292654  1
  Al  Al285  1  0.970803  0.830340  0.362412  1
  Al  Al286  1  0.403749  0.194821  0.329546  1
  Al  Al287  1  0.470813  0.830538  0.362374  1
  Al  Al288  1  0.903366  0.194734  0.329503  1
  Al  Al289  1  0.305704  0.374648  0.411581  1
  Al  Al290  1  0.805601  0.374654  0.411585  1
  Al  Al291  1  0.442394  0.647942  0.483774  1
  Al  Al292  1  0.874215  0.011777  0.447008  1
  Al  Al293  1  0.942194  0.647941  0.483774  1
  Al  Al294  1  0.374101  0.011554  0.447865  1
  Al  Al295  1  0.033072  0.329470  0.467477  1
  Al  Al296  1  0.533200  0.329733  0.467682  1
  Al  Al297  1  0.464934  0.693333  0.427645  1
  Al  Al298  1  0.601742  0.966297  0.502668  1
  Al  Al299  1  0.965028  0.693329  0.427645  1
  Al  Al300  1  0.101220  0.966297  0.502667  1
  Al  Al301  1  0.413716  0.465339  0.401061  1
  Al  Al302  1  0.913732  0.465368  0.401011  1
  Al  Al303  1  0.550339  0.738886  0.474036  1
  Al  Al304  1  0.982158  0.102361  0.438650  1
  Al  Al305  1  0.050203  0.738911  0.473960  1
  Al  Al306  1  0.482449  0.102554  0.439426  1
  Al  Al307  1  0.288283  0.465365  0.401011  1
  Al  Al308  1  0.788271  0.465337  0.401059  1
  Al  Al309  1  0.425353  0.738911  0.473960  1
  Al  Al310  1  0.856865  0.102363  0.438652  1
  Al  Al311  1  0.925191  0.738884  0.474036  1
  Al  Al312  1  0.356756  0.102555  0.439424  1
  Al  Al313  1  0.771209  0.555681  0.391404  1
  Al  Al314  1  0.271154  0.555767  0.391280  1
  Al  Al315  1  0.908150  0.829889  0.464651  1
  Al  Al316  1  0.339879  0.193259  0.430452  1
  Al  Al317  1  0.408296  0.829822  0.464699  1
  Al  Al318  1  0.839679  0.193134  0.430215  1
  Al  Al319  1  0.498956  0.511287  0.447571  1
  Al  Al320  1  0.998911  0.511243  0.447418  1
  Al  Al321  1  0.930970  0.875767  0.408889  1
  Al  Al322  1  0.067200  0.147760  0.485712  1
  Al  Al323  1  0.431115  0.875591  0.409103  1
  Al  Al324  1  0.567474  0.147907  0.486019  1
  Al  Al325  1  0.584391  0.557115  0.493867  1
  Al  Al326  1  0.084261  0.557000  0.493551  1
  Al  Al327  1  0.016007  0.920897  0.455724  1
  Al  Al328  1  0.447814  0.284243  0.421411  1
  Al  Al329  1  0.516534  0.920698  0.455937  1
  Al  Al330  1  0.947728  0.283919  0.421232  1
  Al  Al331  1  0.459415  0.557066  0.493797  1
  Al  Al332  1  0.959264  0.557045  0.493678  1
  Al  Al333  1  0.891194  0.920965  0.455595  1
  Al  Al334  1  0.322752  0.283879  0.421264  1
  Al  Al335  1  0.391229  0.920751  0.455943  1
  Al  Al336  1  0.822537  0.283857  0.421234  1
  Al  Al337  1  0.521102  0.555685  0.391406  1
  Al  Al338  1  0.021239  0.555766  0.391279  1
  Al  Al339  1  0.658384  0.829889  0.464651  1
  Al  Al340  1  0.090117  0.193134  0.430209  1
  Al  Al341  1  0.158174  0.829823  0.464699  1
  Al  Al342  1  0.590033  0.193260  0.430454  1
  Al  Al343  1  0.248982  0.511242  0.447418  1
  Al  Al344  1  0.748980  0.511286  0.447570  1
  Al  Al345  1  0.681426  0.875768  0.408889  1
  Al  Al346  1  0.817234  0.147760  0.485715  1
  Al  Al347  1  0.181107  0.875588  0.409105  1
  Al  Al348  1  0.317103  0.147907  0.486017  1
  Al  Al349  1  0.334434  0.557045  0.493678  1
  Al  Al350  1  0.834303  0.557065  0.493797  1
  Al  Al351  1  0.766419  0.920967  0.455596  1
  Al  Al352  1  0.197977  0.283850  0.421228  1
  Al  Al353  1  0.266173  0.920753  0.455941  1
  Al  Al354  1  0.697784  0.283879  0.421268  1
  Al  Al355  1  0.209395  0.557000  0.493550  1
  Al  Al356  1  0.709377  0.557114  0.493867  1
  Al  Al357  1  0.641536  0.920896  0.455725  1
  Al  Al358  1  0.072859  0.283916  0.421226  1
  Al  Al359  1  0.140813  0.920699  0.455936  1
  Al  Al360  1  0.573084  0.284241  0.421410  1
  Al  Al361  1  0.555791  0.374927  0.411739  1
  Al  Al362  1  0.055722  0.374783  0.411592  1
  Al  Al363  1  0.692305  0.647964  0.483913  1
  Al  Al364  1  0.123745  0.011767  0.447290  1
  Al  Al365  1  0.192314  0.647978  0.483597  1
  Al  Al366  1  0.624673  0.011768  0.447292  1
  Al  Al367  1  0.283113  0.329511  0.467527  1
  Al  Al368  1  0.783065  0.329513  0.467531  1
  Al  Al369  1  0.714960  0.693289  0.427747  1
  Al  Al370  1  0.147241  0.057877  0.391491  1
  Al  Al371  1  0.215063  0.693491  0.427513  1
  Al  Al372  1  0.647262  0.057872  0.391497  1
  Al  Al373  1  0.663838  0.465448  0.401141  1
  Al  Al374  1  0.163798  0.465427  0.400987  1
  Al  Al375  1  0.800216  0.738884  0.474088  1
  Al  Al376  1  0.231938  0.102407  0.438979  1
  Al  Al377  1  0.300310  0.738929  0.473931  1
  Al  Al378  1  0.732112  0.102431  0.438730  1
  Al  Al379  1  0.538261  0.465448  0.401142  1
  Al  Al380  1  0.038281  0.465427  0.400987  1
  Al  Al381  1  0.675313  0.738884  0.474087  1
  Al  Al382  1  0.106974  0.102431  0.438726  1
  Al  Al383  1  0.175266  0.738928  0.473931  1
  Al  Al384  1  0.607120  0.102406  0.438982  1
  Al  Al385  1  0.010344  0.284005  0.523340  1
  Al  Al386  1  0.510452  0.284223  0.523562  1
  Al  Al387  1  0.147215  0.557765  0.595416  1
  Al  Al388  1  0.578773  0.920759  0.557876  1
  Al  Al389  1  0.647668  0.558667  0.596625  1
  Al  Al390  1  0.078668  0.920761  0.557874  1
  Al  Al391  1  0.737560  0.238302  0.579414  1
  Al  Al392  1  0.237447  0.238301  0.579413  1
  Al  Al393  1  0.169652  0.602646  0.539528  1
  Al  Al394  1  0.305544  0.874405  0.613330  1
  Al  Al395  1  0.669761  0.602865  0.540243  1
  Al  Al396  1  0.805592  0.874505  0.613182  1
  Al  Al397  1  0.118405  0.375030  0.513622  1
  Al  Al398  1  0.618496  0.375256  0.513813  1
  Al  Al399  1  0.255303  0.648504  0.585559  1
  Al  Al400  1  0.686749  0.011764  0.549581  1
  Al  Al401  1  0.754854  0.648609  0.586841  1
  Al  Al402  1  0.186507  0.011731  0.549714  1
  Al  Al403  1  0.993300  0.375031  0.513623  1
  Al  Al404  1  0.493433  0.375256  0.513813  1
  Al  Al405  1  0.129860  0.648502  0.585559  1
  Al  Al406  1  0.561909  0.011730  0.549716  1
  Al  Al407  1  0.630414  0.648611  0.586842  1
  Al  Al408  1  0.061700  0.011762  0.549581  1
  Al  Al409  1  0.476451  0.466215  0.503841  1
  Al  Al410  1  0.976317  0.466070  0.503657  1
  Al  Al411  1  0.612868  0.739037  0.576345  1
  Al  Al412  1  0.044489  0.102427  0.541240  1
  Al  Al413  1  0.112759  0.739134  0.576107  1
  Al  Al414  1  0.544678  0.102477  0.541459  1
  Al  Al415  1  0.203757  0.420759  0.559814  1
  Al  Al416  1  0.703815  0.420956  0.559983  1
  Al  Al417  1  0.635608  0.784349  0.520418  1
  Al  Al418  1  0.771765  0.056717  0.596731  1
  Al  Al419  1  0.135409  0.784373  0.520328  1
  Al  Al420  1  0.271652  0.056668  0.596854  1
  Al  Al421  1  0.289051  0.466904  0.606065  1
  Al  Al422  1  0.789079  0.467058  0.606190  1
  Al  Al423  1  0.720736  0.829801  0.566799  1
  Al  Al424  1  0.152356  0.193152  0.532635  1
  Al  Al425  1  0.220680  0.829876  0.566742  1
  Al  Al426  1  0.652520  0.193205  0.532730  1
  Al  Al427  1  0.164564  0.466799  0.605948  1
  Al  Al428  1  0.664716  0.467138  0.606230  1
  Al  Al429  1  0.595826  0.829761  0.566766  1
  Al  Al430  1  0.027416  0.193126  0.532603  1
  Al  Al431  1  0.095853  0.829768  0.566795  1
  Al  Al432  1  0.527548  0.193242  0.532837  1
  Al  Al433  1  0.226417  0.466069  0.503656  1
  Al  Al434  1  0.726427  0.466215  0.503841  1
  Al  Al435  1  0.363041  0.739133  0.576110  1
  Al  Al436  1  0.794628  0.102427  0.541241  1
  Al  Al437  1  0.862834  0.739037  0.576344  1
  Al  Al438  1  0.294487  0.102476  0.541458  1
  Al  Al439  1  0.953680  0.420761  0.559815  1
  Al  Al440  1  0.453816  0.420955  0.559982  1
  Al  Al441  1  0.385622  0.784372  0.520329  1
  Al  Al442  1  0.521729  0.056668  0.596854  1
  Al  Al443  1  0.885399  0.784350  0.520417  1
  Al  Al444  1  0.021666  0.056717  0.596730  1
  Al  Al445  1  0.038912  0.466801  0.605948  1
  Al  Al446  1  0.539099  0.467137  0.606230  1
  Al  Al447  1  0.470586  0.829767  0.566797  1
  Al  Al448  1  0.902399  0.193125  0.532604  1
  Al  Al449  1  0.970607  0.829763  0.566764  1
  Al  Al450  1  0.402379  0.193240  0.532837  1
  Al  Al451  1  0.914531  0.466907  0.606066  1
  Al  Al452  1  0.414655  0.467056  0.606189  1
  Al  Al453  1  0.345870  0.829876  0.566744  1
  Al  Al454  1  0.777485  0.193154  0.532636  1
  Al  Al455  1  0.845736  0.829802  0.566799  1
  Al  Al456  1  0.277372  0.193206  0.532728  1
  Al  Al457  1  0.260357  0.284068  0.523404  1
  Al  Al458  1  0.760392  0.284069  0.523406  1
  Al  Al459  1  0.397719  0.558498  0.596413  1
  Al  Al460  1  0.828728  0.920777  0.557897  1
  Al  Al461  1  0.897447  0.558497  0.596413  1
  Al  Al462  1  0.328702  0.920722  0.558049  1
  Al  Al463  1  0.987482  0.238257  0.579353  1
  Al  Al464  1  0.487528  0.238350  0.579507  1
  Al  Al465  1  0.419874  0.602799  0.540059  1
  Al  Al466  1  0.851499  0.966333  0.502492  1
  Al  Al467  1  0.919580  0.602799  0.540059  1
  Al  Al468  1  0.351432  0.966200  0.502864  1
  Al  Al469  1  0.368449  0.375175  0.513748  1
  Al  Al470  1  0.868375  0.375097  0.513676  1
  Al  Al471  1  0.504850  0.648543  0.586775  1
  Al  Al472  1  0.936591  0.011774  0.549520  1
  Al  Al473  1  0.004683  0.648550  0.586529  1
  Al  Al474  1  0.436640  0.011726  0.549772  1
  Al  Al475  1  0.243396  0.375096  0.513675  1
  Al  Al476  1  0.743399  0.375176  0.513749  1
  Al  Al477  1  0.380528  0.648554  0.586533  1
  Al  Al478  1  0.811868  0.011772  0.549521  1
  Al  Al479  1  0.880353  0.648545  0.586775  1
  Al  Al480  1  0.311770  0.011724  0.549772  1
  Al  Al481  1  0.714521  0.192183  0.635406  1
  Al  Al482  1  0.214389  0.192182  0.635406  1
  Al  Al483  1  0.852339  0.467465  0.704874  1
  Al  Al484  1  0.283267  0.829906  0.669959  1
  Al  Al485  1  0.351772  0.467460  0.704873  1
  Al  Al486  1  0.783563  0.830495  0.669586  1
  Al  Al487  1  0.440267  0.143820  0.690112  1
  Al  Al488  1  0.940295  0.143874  0.690031  1
  Al  Al489  1  0.875352  0.513611  0.651126  1
  Al  Al490  1  0.012291  0.788447  0.720627  1
  Al  Al491  1  0.374926  0.513608  0.651124  1
  Al  Al492  1  0.512771  0.788451  0.720629  1
  Al  Al493  1  0.822441  0.283723  0.625894  1
  Al  Al494  1  0.322278  0.283719  0.625924  1
  Al  Al495  1  0.962122  0.559523  0.695724  1
  Al  Al496  1  0.390410  0.918809  0.659189  1
  Al  Al497  1  0.460649  0.559152  0.695623  1
  Al  Al498  1  0.890585  0.919018  0.659027  1
  Al  Al499  1  0.698160  0.283723  0.625925  1
  Al  Al500  1  0.197998  0.283723  0.625892  1
  Al  Al501  1  0.835131  0.559152  0.695619  1
  Al  Al502  1  0.265114  0.918808  0.659190  1
  Al  Al503  1  0.334034  0.559508  0.695717  1
  Al  Al504  1  0.765147  0.919018  0.659029  1
  Al  Al505  1  0.181173  0.375728  0.616052  1
  Al  Al506  1  0.681277  0.375737  0.616119  1
  Al  Al507  1  0.316785  0.650280  0.687222  1
  Al  Al508  1  0.748470  0.010173  0.651384  1
  Al  Al509  1  0.819244  0.650251  0.686953  1
  Al  Al510  1  0.248442  0.010104  0.651443  1
  Al  Al511  1  0.908301  0.329569  0.670998  1
  Al  Al512  1  0.407957  0.329389  0.671050  1
  Al  Al513  1  0.340032  0.694797  0.632053  1
  Al  Al514  1  0.475205  0.963431  0.705172  1
  Al  Al515  1  0.840652  0.694899  0.632228  1
  Al  Al516  1  0.975130  0.963333  0.705103  1
  Al  Al517  1  0.995344  0.378383  0.713462  1
  Al  Al518  1  0.494952  0.378013  0.713513  1
  Al  Al519  1  0.425195  0.741271  0.677428  1
  Al  Al520  1  0.856189  0.100099  0.644218  1
  Al  Al521  1  0.926454  0.741531  0.676995  1
  Al  Al522  1  0.356136  0.100068  0.644316  1
  Al  Al523  1  0.870006  0.378134  0.713465  1
  Al  Al524  1  0.369544  0.378031  0.713499  1
  Al  Al525  1  0.300499  0.741038  0.678452  1
  Al  Al526  1  0.730590  0.100001  0.644273  1
  Al  Al527  1  0.802367  0.742389  0.677720  1
  Al  Al528  1  0.230497  0.099976  0.644309  1
  Al  Al529  1  0.931258  0.375731  0.616054  1
  Al  Al530  1  0.431161  0.375735  0.616118  1
  Al  Al531  1  0.070131  0.650298  0.687219  1
  Al  Al532  1  0.498417  0.010106  0.651445  1
  Al  Al533  1  0.567631  0.650245  0.686954  1
  Al  Al534  1  0.998457  0.010172  0.651384  1
  Al  Al535  1  0.658165  0.329391  0.671051  1
  Al  Al536  1  0.157999  0.329566  0.670997  1
  Al  Al537  1  0.091417  0.694794  0.632044  1
  Al  Al538  1  0.225139  0.963442  0.705170  1
  Al  Al539  1  0.590909  0.694897  0.632228  1
  Al  Al540  1  0.725117  0.963348  0.705103  1
  Al  Al541  1  0.745208  0.378060  0.713496  1
  Al  Al542  1  0.244846  0.378157  0.713460  1
  Al  Al543  1  0.177181  0.741050  0.678438  1
  Al  Al544  1  0.606210  0.099967  0.644313  1
  Al  Al545  1  0.676681  0.742397  0.677722  1
  Al  Al546  1  0.106141  0.099990  0.644276  1
  Al  Al547  1  0.619754  0.377987  0.713516  1
  Al  Al548  1  0.119732  0.378356  0.713464  1
  Al  Al549  1  0.052723  0.741272  0.677412  1
  Al  Al550  1  0.480673  0.100078  0.644314  1
  Al  Al551  1  0.551731  0.741525  0.676991  1
  Al  Al552  1  0.980651  0.100108  0.644215  1
  Al  Al553  1  0.964482  0.192235  0.635354  1
  Al  Al554  1  0.464470  0.192212  0.635453  1
  Al  Al555  1  0.102496  0.468336  0.704993  1
  Al  Al556  1  0.533440  0.830615  0.667470  1
  Al  Al557  1  0.602022  0.467396  0.704877  1
  Al  Al558  1  0.033822  0.830616  0.667468  1
  Al  Al559  1  0.690258  0.143672  0.690068  1
  Al  Al560  1  0.190127  0.143670  0.690068  1
  Al  Al561  1  0.125244  0.513830  0.650779  1
  Al  Al562  1  0.555576  0.874852  0.612726  1
  Al  Al563  1  0.625191  0.513718  0.651164  1
  Al  Al564  1  0.055959  0.874853  0.612724  1
  Al  Al565  1  0.072341  0.283746  0.625869  1
  Al  Al566  1  0.572393  0.283714  0.625951  1
  Al  Al567  1  0.210783  0.560676  0.695522  1
  Al  Al568  1  0.640705  0.918935  0.658991  1
  Al  Al569  1  0.711254  0.559299  0.695614  1
  Al  Al570  1  0.140806  0.918909  0.659012  1
  Al  Al571  1  0.948123  0.283749  0.625868  1
  Al  Al572  1  0.448038  0.283715  0.625950  1
  Al  Al573  1  0.086550  0.560688  0.695528  1
  Al  Al574  1  0.514820  0.918914  0.659014  1
  Al  Al575  1  0.584668  0.559294  0.695609  1
  Al  Al576  1  0.014946  0.918939  0.658990  1
