# generated using pymatgen
data_SmAl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.46179554
_cell_length_b   22.53732355
_cell_length_c   49.14003587
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.26879543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl4
_chemical_formula_sum   'Sm48 Al192'
_cell_volume   10443.0902617
_cell_formula_units_Z   48
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  0.921764  0.396764  0.321917  1
  Sm  Sm2  1  0.427846  0.891245  0.321395  1
  Sm  Sm3  1  0.519296  0.418176  0.287174  1
  Sm  Sm4  1  0.005764  0.914913  0.283614  1
  Sm  Sm5  1  0.752736  0.674238  0.286909  1
  Sm  Sm6  1  0.278434  0.157388  0.285327  1
  Sm  Sm7  1  0.170436  0.654218  0.326211  1
  Sm  Sm8  1  0.680742  0.138694  0.318881  1
  Sm  Sm9  1  0.728558  0.367124  0.396534  1
  Sm  Sm10  1  0.219187  0.868941  0.401872  1
  Sm  Sm11  1  0.323524  0.383667  0.358090  1
  Sm  Sm12  1  0.834198  0.879948  0.361753  1
  Sm  Sm13  1  0.568548  0.639881  0.360672  1
  Sm  Sm14  1  0.080930  0.123869  0.357163  1
  Sm  Sm15  1  0.977796  0.625184  0.400262  1
  Sm  Sm16  1  0.480360  0.108516  0.396580  1
  Sm  Sm17  1  0.532450  0.335416  0.472031  1
  Sm  Sm18  1  0.035818  0.842899  0.478940  1
  Sm  Sm19  1  0.130107  0.351815  0.433546  1
  Sm  Sm20  1  0.637792  0.855364  0.441548  1
  Sm  Sm21  1  0.382081  0.604964  0.437800  1
  Sm  Sm22  1  0.883450  0.095647  0.434768  1
  Sm  Sm23  1  0.782549  0.590327  0.475233  1
  Sm  Sm24  1  0.282354  0.086916  0.475501  1
  Sm  Sm25  1  0.331120  0.307983  0.547381  1
  Sm  Sm26  1  0.838805  0.811532  0.555383  1
  Sm  Sm27  1  0.933094  0.320448  0.509989  1
  Sm  Sm28  1  0.436462  0.827931  0.516898  1
  Sm  Sm29  1  0.186363  0.573020  0.513695  1
  Sm  Sm30  1  0.686558  0.076431  0.513428  1
  Sm  Sm31  1  0.586831  0.558383  0.551128  1
  Sm  Sm32  1  0.085462  0.067701  0.554161  1
  Sm  Sm33  1  0.134714  0.283399  0.627176  1
  Sm  Sm34  1  0.645388  0.779680  0.630839  1
  Sm  Sm35  1  0.749725  0.294406  0.587057  1
  Sm  Sm36  1  0.240354  0.796223  0.592395  1
  Sm  Sm37  1  0.991116  0.538163  0.588667  1
  Sm  Sm38  1  0.488551  0.054831  0.592349  1
  Sm  Sm39  1  0.400364  0.523466  0.628257  1
  Sm  Sm40  1  0.887982  0.039478  0.631766  1
  Sm  Sm41  1  0.963148  0.248434  0.705315  1
  Sm  Sm42  1  0.449616  0.745171  0.701754  1
  Sm  Sm43  1  0.541066  0.272102  0.667534  1
  Sm  Sm44  1  0.047148  0.766583  0.667012  1
  Sm  Sm45  1  0.798476  0.509129  0.662718  1
  Sm  Sm46  1  0.288170  0.024653  0.670047  1
  Sm  Sm47  1  0.216176  0.489109  0.702020  1
  Sm  Sm48  1  0.690478  1.005959  0.703602  1
  Al  Al49  1  0.776794  0.831009  0.301897  1
  Al  Al50  1  0.243835  0.345499  0.295643  1
  Al  Al51  1  0.122197  0.805867  0.325790  1
  Al  Al52  1  0.634212  0.335394  0.336979  1
  Al  Al53  1  0.012745  0.756065  0.281480  1
  Al  Al54  1  0.453590  0.268190  0.312424  1
  Al  Al55  1  0.548590  0.802283  0.273189  1
  Al  Al56  1  0.028825  0.288808  0.277564  1
  Al  Al57  1  0.622529  0.775591  0.338095  1
  Al  Al58  1  0.155425  0.261109  0.329814  1
  Al  Al59  1  0.260203  0.813453  0.276428  1
  Al  Al60  1  0.746120  0.283312  0.292975  1
  Al  Al61  1  0.265793  0.686342  0.267889  1
  Al  Al62  1  0.570815  0.208911  0.268247  1
  Al  Al63  1  0.421437  0.731887  0.308961  1
  Al  Al64  1  0.959893  0.194216  0.304689  1
  Al  Al65  1  0.875563  0.612740  0.340522  1
  Al  Al66  1  0.426024  0.063235  0.334269  1
  Al  Al67  1  0.474859  0.614037  0.298116  1
  Al  Al68  1  0.001339  0.083102  0.288718  1
  Al  Al69  1  0.696554  0.537509  0.314372  1
  Al  Al70  1  0.217391  0.010819  0.308294  1
  Al  Al71  1  0.263776  0.555410  0.278517  1
  Al  Al72  1  0.769175  0.032129  0.273165  1
  Al  Al73  1  0.983563  0.549687  0.296897  1
  Al  Al74  1  0.484228  0.026600  0.283789  1
  Al  Al75  1  0.394567  0.524172  0.330717  1
  Al  Al76  1  0.944716  0.011601  0.329457  1
  Al  Al77  1  0.813617  0.473076  0.272478  1
  Al  Al78  1  0.332008  0.931548  0.264591  1
  Al  Al79  1  0.195968  0.459548  0.306094  1
  Al  Al80  1  0.639516  0.918408  0.269213  1
  Al  Al81  1  0.531994  0.856401  0.381545  1
  Al  Al82  1  0.037952  0.318096  0.372474  1
  Al  Al83  1  0.933263  0.804165  0.417446  1
  Al  Al84  1  0.443029  0.302736  0.409633  1
  Al  Al85  1  0.745914  0.752073  0.387575  1
  Al  Al86  1  0.254058  0.240103  0.385734  1
  Al  Al87  1  0.350737  0.776342  0.357761  1
  Al  Al88  1  0.850666  0.253283  0.348243  1
  Al  Al89  1  0.458674  0.753395  0.410600  1
  Al  Al90  1  0.954324  0.231395  0.403892  1
  Al  Al91  1  0.060261  0.759264  0.374661  1
  Al  Al92  1  0.559448  0.244808  0.367045  1
  Al  Al93  1  0.887724  0.733017  0.336112  1
  Al  Al94  1  0.371166  0.177665  0.344123  1
  Al  Al95  1  0.276490  0.685213  0.387751  1
  Al  Al96  1  0.773899  0.161627  0.380215  1
  Al  Al97  1  0.689823  0.561366  0.413298  1
  Al  Al98  1  0.206282  0.039717  0.414199  1
  Al  Al99  1  0.285382  0.574982  0.375623  1
  Al  Al100  1  0.764486  0.050678  0.366469  1
  Al  Al101  1  0.502090  0.499709  0.388626  1
  Al  Al102  1  0.002863  0.991889  0.386229  1
  Al  Al103  1  0.088531  0.519154  0.349698  1
  Al  Al104  1  0.696389  0.972267  0.317007  1
  Al  Al105  1  0.805255  0.513200  0.368193  1
  Al  Al106  1  0.278511  0.995225  0.365942  1
  Al  Al107  1  0.201744  0.490159  0.406805  1
  Al  Al108  1  0.713535  0.985525  0.409323  1
  Al  Al109  1  0.616763  0.448239  0.345454  1
  Al  Al110  1  0.124369  0.915241  0.343416  1
  Al  Al111  1  0.013378  0.430331  0.381176  1
  Al  Al112  1  0.560350  0.973192  0.364085  1
  Al  Al113  1  0.342942  0.802952  0.456281  1
  Al  Al114  1  0.840280  0.287881  0.447166  1
  Al  Al115  1  0.744923  0.779434  0.494049  1
  Al  Al116  1  0.238427  0.273827  0.485366  1
  Al  Al117  1  0.554271  0.721182  0.467723  1
  Al  Al118  1  0.058509  0.213867  0.459345  1
  Al  Al119  1  0.162410  0.736626  0.431661  1
  Al  Al120  1  0.657011  0.223514  0.422746  1
  Al  Al121  1  0.261152  0.714872  0.487213  1
  Al  Al122  1  0.751508  0.209002  0.481264  1
  Al  Al123  1  0.855784  0.724967  0.451015  1
  Al  Al124  1  0.359536  0.218299  0.441972  1
  Al  Al125  1  0.665030  0.672639  0.422722  1
  Al  Al126  1  0.172105  0.153003  0.417841  1
  Al  Al127  1  0.076585  0.651801  0.462635  1
  Al  Al128  1  0.580605  0.137898  0.455889  1
  Al  Al129  1  0.496367  0.526645  0.489349  1
  Al  Al130  1  0.993680  0.026061  0.495198  1
  Al  Al131  1  0.091664  0.542938  0.450771  1
  Al  Al132  1  0.563946  0.025797  0.450776  1
  Al  Al133  1  0.308879  0.467466  0.463467  1
  Al  Al134  1  0.804468  0.969977  0.468312  1
  Al  Al135  1  0.903216  0.483256  0.425349  1
  Al  Al136  1  0.433848  0.961864  0.414096  1
  Al  Al137  1  0.606301  0.475323  0.444825  1
  Al  Al138  1  0.096988  0.976103  0.451449  1
  Al  Al139  1  0.006353  0.459368  0.482457  1
  Al  Al140  1  0.512254  0.963234  0.493320  1
  Al  Al141  1  0.418718  0.413299  0.419734  1
  Al  Al142  1  0.924773  0.915886  0.424747  1
  Al  Al143  1  0.821103  0.398161  0.457408  1
  Al  Al144  1  0.336536  0.917172  0.460612  1
  Al  Al145  1  0.147809  0.765186  0.531521  1
  Al  Al146  1  0.632376  0.246176  0.528317  1
  Al  Al147  1  0.550194  0.750048  0.569195  1
  Al  Al148  1  0.044139  0.247461  0.564182  1
  Al  Al149  1  0.362610  0.688024  0.544104  1
  Al  Al150  1  0.871924  0.187245  0.537479  1
  Al  Al151  1  0.962559  0.703980  0.506471  1
  Al  Al152  1  0.456658  0.200113  0.495609  1
  Al  Al153  1  0.065695  0.680092  0.563579  1
  Al  Al154  1  0.535064  0.201483  0.574833  1
  Al  Al155  1  0.660033  0.695881  0.525462  1
  Al  Al156  1  0.164444  0.193371  0.520617  1
  Al  Al157  1  0.472545  0.636703  0.499580  1
  Al  Al158  1  0.975232  0.137286  0.493730  1
  Al  Al159  1  0.877248  0.620409  0.538158  1
  Al  Al160  1  0.404966  0.137550  0.538153  1
  Al  Al161  1  0.303882  0.490708  0.566207  1
  Al  Al162  1  0.796807  0.010345  0.571088  1
  Al  Al163  1  0.892327  0.511546  0.526294  1
  Al  Al164  1  0.388307  0.025449  0.533040  1
  Al  Al165  1  0.113127  0.438381  0.537914  1
  Al  Al166  1  0.609376  0.945048  0.546957  1
  Al  Al167  1  0.707760  0.448475  0.501716  1
  Al  Al168  1  0.217404  0.954345  0.507665  1
  Al  Al169  1  0.414641  0.442165  0.521206  1
  Al  Al170  1  0.910402  0.949480  0.529584  1
  Al  Al171  1  0.806502  0.426721  0.557268  1
  Al  Al172  1  0.311901  0.939833  0.566183  1
  Al  Al173  1  0.223988  0.383913  0.494880  1
  Al  Al174  1  0.730485  0.889520  0.503563  1
  Al  Al175  1  0.625970  0.360395  0.532647  1
  Al  Al176  1  0.128632  0.875466  0.541763  1
  Al  Al177  1  0.955534  0.733016  0.607753  1
  Al  Al178  1  0.408562  0.190155  0.624844  1
  Al  Al179  1  0.352148  0.715108  0.643475  1
  Al  Al180  1  0.844543  0.248107  0.645513  1
  Al  Al181  1  0.163656  0.650147  0.620736  1
  Al  Al182  1  0.690401  0.168122  0.622987  1
  Al  Al183  1  0.767168  0.673188  0.582123  1
  Al  Al184  1  0.255377  0.177822  0.579605  1
  Al  Al185  1  0.880381  0.644193  0.639231  1
  Al  Al186  1  0.272523  0.191081  0.671922  1
  Al  Al187  1  0.466822  0.663638  0.600303  1
  Al  Al188  1  0.966049  0.171459  0.602699  1
  Al  Al189  1  0.279089  0.601981  0.575631  1
  Al  Al190  1  0.762630  0.123630  0.574730  1
  Al  Al191  1  0.683530  0.588365  0.613306  1
  Al  Al192  1  0.204426  0.112669  0.622459  1
  Al  Al193  1  0.081188  0.430331  0.652817  1
  Al  Al194  1  0.597746  0.985682  0.644806  1
  Al  Al195  1  0.692422  0.478134  0.601177  1
  Al  Al196  1  0.195013  1.001721  0.608714  1
  Al  Al197  1  0.908651  0.404083  0.614267  1
  Al  Al198  1  0.409464  0.918539  0.621884  1
  Al  Al199  1  0.510238  0.409952  0.578329  1
  Al  Al200  1  0.014588  0.931952  0.585037  1
  Al  Al201  1  0.222998  0.411274  0.601354  1
  Al  Al202  1  0.714853  0.923244  0.603195  1
  Al  Al203  1  0.618175  0.387005  0.631168  1
  Al  Al204  1  0.118245  0.910064  0.640686  1
  Al  Al205  1  0.035649  0.359182  0.571483  1
  Al  Al206  1  0.525882  0.860611  0.579296  1
  Al  Al207  1  0.436918  0.306946  0.607384  1
  Al  Al208  1  0.930960  0.845251  0.616455  1
  Al  Al209  1  0.772944  0.703799  0.682835  1
  Al  Al210  1  0.329396  0.244939  0.719716  1
  Al  Al211  1  0.155295  0.690271  0.716451  1
  Al  Al212  1  0.636904  0.231799  0.724338  1
  Al  Al213  1  0.985349  0.613660  0.692032  1
  Al  Al214  1  0.484683  0.136747  0.705140  1
  Al  Al215  1  0.574345  0.639175  0.658212  1
  Al  Al216  1  0.024196  0.151746  0.659471  1
  Al  Al217  1  0.705136  0.607937  0.710412  1
  Al  Al218  1  0.199737  0.131218  0.715764  1
  Al  Al219  1  0.272358  0.625838  0.674557  1
  Al  Al220  1  0.751521  0.152528  0.680635  1
  Al  Al221  1  0.093349  0.550607  0.648407  1
  Al  Al222  1  0.542888  0.100112  0.654660  1
  Al  Al223  1  0.494053  0.549310  0.690813  1
  Al  Al224  1  0.967572  0.080245  0.700210  1
  Al  Al225  1  0.703119  0.477005  0.721040  1
  Al  Al226  1  0.398096  0.954436  0.720682  1
  Al  Al227  1  0.547475  0.431460  0.679968  1
  Al  Al228  1  0.009019  0.969131  0.684240  1
  Al  Al229  1  0.708709  0.349894  0.712501  1
  Al  Al230  1  0.222792  0.880035  0.695954  1
  Al  Al231  1  0.346383  0.387757  0.650834  1
  Al  Al232  1  0.813487  0.902238  0.659115  1
  Al  Al233  1  0.956167  0.407282  0.707449  1
  Al  Al234  1  0.515322  0.895157  0.676504  1
  Al  Al235  1  0.420322  0.361064  0.715739  1
  Al  Al236  1  0.940087  0.874540  0.711365  1
  Al  Al237  1  0.846715  0.357480  0.663139  1
  Al  Al238  1  0.334700  0.827953  0.651949  1
  Al  Al239  1  0.192117  0.332339  0.687032  1
  Al  Al240  1  0.725077  0.817848  0.693286  1
