# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.97131338
_cell_length_b   18.80445740
_cell_length_c   46.65406408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.83441768
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm84 Al252'
_cell_volume   15626.9082356
_cell_formula_units_Z   84
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  0.962697  0.322916  0.310411  1
  Sm  Sm2  1  0.462697  0.322916  0.310411  1
  Sm  Sm3  1  0.387394  0.687121  0.291224  1
  Sm  Sm4  1  0.525367  0.958467  0.329509  1
  Sm  Sm5  1  0.887394  0.687121  0.291224  1
  Sm  Sm6  1  0.025367  0.958467  0.329509  1
  Sm  Sm7  1  0.189428  0.458504  0.329424  1
  Sm  Sm8  1  0.689428  0.458504  0.329424  1
  Sm  Sm9  1  0.616577  0.823018  0.310341  1
  Sm  Sm10  1  0.056014  0.187110  0.291170  1
  Sm  Sm11  1  0.116577  0.823018  0.310341  1
  Sm  Sm12  1  0.556014  0.187110  0.291170  1
  Sm  Sm13  1  0.662521  0.230834  0.371174  1
  Sm  Sm14  1  0.162521  0.230834  0.371174  1
  Sm  Sm15  1  0.094221  0.594631  0.353359  1
  Sm  Sm16  1  0.230312  0.870502  0.393371  1
  Sm  Sm17  1  0.594221  0.594631  0.353359  1
  Sm  Sm18  1  0.730312  0.870502  0.393371  1
  Sm  Sm19  1  0.896723  0.370603  0.393308  1
  Sm  Sm20  1  0.396723  0.370603  0.393308  1
  Sm  Sm21  1  0.324772  0.730933  0.371119  1
  Sm  Sm22  1  0.756845  0.094712  0.353283  1
  Sm  Sm23  1  0.824772  0.730933  0.371119  1
  Sm  Sm24  1  0.256845  0.094712  0.353283  1
  Sm  Sm25  1  0.367247  0.143588  0.434714  1
  Sm  Sm26  1  0.867247  0.143588  0.434714  1
  Sm  Sm27  1  0.800494  0.506772  0.413884  1
  Sm  Sm28  1  0.936592  0.782069  0.456242  1
  Sm  Sm29  1  0.300494  0.506772  0.413884  1
  Sm  Sm30  1  0.436592  0.782069  0.456242  1
  Sm  Sm31  1  0.602162  0.282162  0.456175  1
  Sm  Sm32  1  0.102162  0.282162  0.456175  1
  Sm  Sm33  1  0.032955  0.643669  0.434651  1
  Sm  Sm34  1  0.462870  0.006882  0.413814  1
  Sm  Sm35  1  0.532955  0.643669  0.434651  1
  Sm  Sm36  1  0.962870  0.006882  0.413814  1
  Sm  Sm37  1  0.073665  0.056947  0.497631  1
  Sm  Sm38  1  0.573665  0.056947  0.497631  1
  Sm  Sm39  1  0.505896  0.419430  0.476803  1
  Sm  Sm40  1  0.643458  0.694453  0.518465  1
  Sm  Sm41  1  0.005896  0.419430  0.476803  1
  Sm  Sm42  1  0.143458  0.694453  0.518465  1
  Sm  Sm43  1  0.307816  0.194544  0.518398  1
  Sm  Sm44  1  0.807816  0.194544  0.518398  1
  Sm  Sm45  1  0.740048  0.557026  0.497569  1
  Sm  Sm46  1  0.170255  0.919521  0.476735  1
  Sm  Sm47  1  0.240048  0.557026  0.497569  1
  Sm  Sm48  1  0.670255  0.919521  0.476735  1
  Sm  Sm49  1  0.780758  0.970305  0.560549  1
  Sm  Sm50  1  0.280758  0.970305  0.560549  1
  Sm  Sm51  1  0.211551  0.331811  0.539026  1
  Sm  Sm52  1  0.350843  0.607091  0.581386  1
  Sm  Sm53  1  0.711551  0.331811  0.539026  1
  Sm  Sm54  1  0.850843  0.607091  0.581386  1
  Sm  Sm55  1  0.013219  0.107202  0.581316  1
  Sm  Sm56  1  0.513219  0.107202  0.581316  1
  Sm  Sm57  1  0.446466  0.470385  0.560486  1
  Sm  Sm58  1  0.877121  0.831905  0.538959  1
  Sm  Sm59  1  0.946466  0.470385  0.560486  1
  Sm  Sm60  1  0.377121  0.831905  0.538959  1
  Sm  Sm61  1  0.488941  0.883041  0.624081  1
  Sm  Sm62  1  0.988941  0.883041  0.624081  1
  Sm  Sm63  1  0.916990  0.243371  0.601893  1
  Sm  Sm64  1  0.056868  0.519262  0.641918  1
  Sm  Sm65  1  0.416990  0.243371  0.601893  1
  Sm  Sm66  1  0.556868  0.519262  0.641918  1
  Sm  Sm67  1  0.719492  0.019342  0.641841  1
  Sm  Sm68  1  0.219492  0.019342  0.641841  1
  Sm  Sm69  1  0.151192  0.383140  0.624027  1
  Sm  Sm70  1  0.583400  0.743471  0.601829  1
  Sm  Sm71  1  0.651192  0.383140  0.624027  1
  Sm  Sm72  1  0.083400  0.743471  0.601829  1
  Sm  Sm73  1  0.197136  0.790956  0.684859  1
  Sm  Sm74  1  0.697136  0.790956  0.684859  1
  Sm  Sm75  1  0.624285  0.155469  0.665776  1
  Sm  Sm76  1  0.757699  0.426864  0.704030  1
  Sm  Sm77  1  0.124285  0.155469  0.665776  1
  Sm  Sm78  1  0.257699  0.426864  0.704030  1
  Sm  Sm79  1  0.426318  0.926853  0.703976  1
  Sm  Sm80  1  0.926318  0.926853  0.703976  1
  Sm  Sm81  1  0.851015  0.291058  0.684789  1
  Sm  Sm82  1  0.288346  0.655506  0.665692  1
  Sm  Sm83  1  0.351015  0.291058  0.684789  1
  Sm  Sm84  1  0.788346  0.655506  0.665692  1
  Al  Al85  1  0.091344  0.510695  0.295955  1
  Al  Al86  1  0.591344  0.510695  0.295955  1
  Al  Al87  1  0.226941  0.781421  0.337764  1
  Al  Al88  1  0.671614  0.148977  0.313107  1
  Al  Al89  1  0.726941  0.781421  0.337764  1
  Al  Al90  1  0.171614  0.148977  0.313107  1
  Al  Al91  1  0.220721  0.322844  0.309267  1
  Al  Al92  1  0.720721  0.322844  0.309267  1
  Al  Al93  1  0.626655  0.674059  0.291192  1
  Al  Al94  1  0.779368  0.958566  0.329331  1
  Al  Al95  1  0.126655  0.674059  0.291192  1
  Al  Al96  1  0.279368  0.958566  0.329331  1
  Al  Al97  1  0.810730  0.281446  0.337745  1
  Al  Al98  1  0.310730  0.281446  0.337745  1
  Al  Al99  1  0.233527  0.648959  0.313088  1
  Al  Al100  1  0.675287  0.010670  0.295923  1
  Al  Al101  1  0.733527  0.648959  0.313088  1
  Al  Al102  1  0.175287  0.010670  0.295923  1
  Al  Al103  1  0.345650  0.352481  0.283276  1
  Al  Al104  1  0.845650  0.352481  0.283276  1
  Al  Al105  1  0.485525  0.629819  0.321090  1
  Al  Al106  1  0.908572  0.995351  0.301978  1
  Al  Al107  1  0.985525  0.629819  0.321090  1
  Al  Al108  1  0.408572  0.995351  0.301978  1
  Al  Al109  1  0.935566  0.458611  0.329241  1
  Al  Al110  1  0.435566  0.458611  0.329241  1
  Al  Al111  1  0.358395  0.822785  0.309204  1
  Al  Al112  1  0.803564  0.174098  0.291130  1
  Al  Al113  1  0.858395  0.822785  0.309204  1
  Al  Al114  1  0.303564  0.174098  0.291130  1
  Al  Al115  1  0.343179  0.495441  0.301985  1
  Al  Al116  1  0.843179  0.495441  0.301985  1
  Al  Al117  1  0.763137  0.852454  0.283303  1
  Al  Al118  1  0.900626  0.129778  0.321068  1
  Al  Al119  1  0.263137  0.852454  0.283303  1
  Al  Al120  1  0.400626  0.129778  0.321068  1
  Al  Al121  1  0.801028  0.418550  0.357785  1
  Al  Al122  1  0.301028  0.418550  0.357785  1
  Al  Al123  1  0.936208  0.693187  0.400681  1
  Al  Al124  1  0.369088  0.057166  0.377882  1
  Al  Al125  1  0.436208  0.693187  0.400681  1
  Al  Al126  1  0.869088  0.057166  0.377882  1
  Al  Al127  1  0.919095  0.232325  0.372093  1
  Al  Al128  1  0.419095  0.232325  0.372093  1
  Al  Al129  1  0.351232  0.593439  0.351362  1
  Al  Al130  1  0.484587  0.868689  0.393352  1
  Al  Al131  1  0.851232  0.593439  0.351362  1
  Al  Al132  1  0.984587  0.868689  0.393352  1
  Al  Al133  1  0.513349  0.193189  0.400649  1
  Al  Al134  1  0.013349  0.193189  0.400649  1
  Al  Al135  1  0.944374  0.557146  0.377847  1
  Al  Al136  1  0.373758  0.918502  0.357761  1
  Al  Al137  1  0.444374  0.557146  0.377847  1
  Al  Al138  1  0.873758  0.918502  0.357761  1
  Al  Al139  1  0.049956  0.269277  0.346445  1
  Al  Al140  1  0.549956  0.269277  0.346445  1
  Al  Al141  1  0.190290  0.544447  0.386295  1
  Al  Al142  1  0.618112  0.908333  0.366541  1
  Al  Al143  1  0.690290  0.544447  0.386295  1
  Al  Al144  1  0.118112  0.908333  0.366541  1
  Al  Al145  1  0.640583  0.368684  0.393266  1
  Al  Al146  1  0.140583  0.368684  0.393266  1
  Al  Al147  1  0.069660  0.732312  0.372008  1
  Al  Al148  1  0.498489  0.093422  0.351288  1
  Al  Al149  1  0.569660  0.732312  0.372008  1
  Al  Al150  1  0.998489  0.093422  0.351288  1
  Al  Al151  1  0.046767  0.408336  0.366585  1
  Al  Al152  1  0.546767  0.408336  0.366585  1
  Al  Al153  1  0.475790  0.769328  0.346494  1
  Al  Al154  1  0.610779  0.044456  0.386341  1
  Al  Al155  1  0.975790  0.769328  0.346494  1
  Al  Al156  1  0.110779  0.044456  0.386341  1
  Al  Al157  1  0.506550  0.329946  0.421335  1
  Al  Al158  1  0.006550  0.329946  0.421335  1
  Al  Al159  1  0.644251  0.605792  0.463016  1
  Al  Al160  1  0.073297  0.968300  0.441903  1
  Al  Al161  1  0.144251  0.605792  0.463016  1
  Al  Al162  1  0.573297  0.968300  0.441903  1
  Al  Al163  1  0.623910  0.144363  0.434747  1
  Al  Al164  1  0.123910  0.144363  0.434747  1
  Al  Al165  1  0.058017  0.506403  0.414867  1
  Al  Al166  1  0.193750  0.781950  0.455956  1
  Al  Al167  1  0.558017  0.506403  0.414867  1
  Al  Al168  1  0.693750  0.781950  0.455956  1
  Al  Al169  1  0.218064  0.105784  0.462973  1
  Al  Al170  1  0.718064  0.105784  0.462973  1
  Al  Al171  1  0.651473  0.468287  0.441868  1
  Al  Al172  1  0.079820  0.829923  0.421294  1
  Al  Al173  1  0.151473  0.468287  0.441868  1
  Al  Al174  1  0.579820  0.829923  0.421294  1
  Al  Al175  1  0.756616  0.183943  0.407907  1
  Al  Al176  1  0.256616  0.183943  0.407907  1
  Al  Al177  1  0.894826  0.457278  0.449189  1
  Al  Al178  1  0.326846  0.820208  0.427499  1
  Al  Al179  1  0.394826  0.457278  0.449189  1
  Al  Al180  1  0.826846  0.820208  0.427499  1
  Al  Al181  1  0.344819  0.281935  0.455876  1
  Al  Al182  1  0.844819  0.281935  0.455876  1
  Al  Al183  1  0.777033  0.644345  0.434669  1
  Al  Al184  1  0.204912  0.006385  0.414788  1
  Al  Al185  1  0.277033  0.644345  0.434669  1
  Al  Al186  1  0.704912  0.006385  0.414788  1
  Al  Al187  1  0.750051  0.320195  0.427528  1
  Al  Al188  1  0.250051  0.320195  0.427528  1
  Al  Al189  1  0.183965  0.683949  0.407959  1
  Al  Al190  1  0.319196  0.957308  0.449218  1
  Al  Al191  1  0.683965  0.683949  0.407959  1
  Al  Al192  1  0.819196  0.957308  0.449218  1
  Al  Al193  1  0.212660  0.243571  0.483308  1
  Al  Al194  1  0.712660  0.243571  0.483308  1
  Al  Al195  1  0.350209  0.518370  0.525510  1
  Al  Al196  1  0.780684  0.881081  0.504814  1
  Al  Al197  1  0.850209  0.518370  0.525510  1
  Al  Al198  1  0.280684  0.881081  0.504814  1
  Al  Al199  1  0.331305  0.056996  0.497638  1
  Al  Al200  1  0.831305  0.056996  0.497638  1
  Al  Al201  1  0.763560  0.419649  0.476601  1
  Al  Al202  1  0.900944  0.694338  0.518684  1
  Al  Al203  1  0.263560  0.419649  0.476601  1
  Al  Al204  1  0.400944  0.694338  0.518684  1
  Al  Al205  1  0.924827  0.018357  0.525469  1
  Al  Al206  1  0.424827  0.018357  0.525469  1
  Al  Al207  1  0.357010  0.381062  0.504785  1
  Al  Al208  1  0.787484  0.743556  0.483273  1
  Al  Al209  1  0.857010  0.381062  0.504785  1
  Al  Al210  1  0.287484  0.743556  0.483273  1
  Al  Al211  1  0.463504  0.095603  0.469690  1
  Al  Al212  1  0.963504  0.095603  0.469690  1
  Al  Al213  1  0.601053  0.370402  0.511892  1
  Al  Al214  1  0.033029  0.732892  0.490387  1
  Al  Al215  1  0.101053  0.370402  0.511892  1
  Al  Al216  1  0.533029  0.732892  0.490387  1
  Al  Al217  1  0.050153  0.194324  0.518599  1
  Al  Al218  1  0.550153  0.194324  0.518599  1
  Al  Al219  1  0.482407  0.556977  0.497563  1
  Al  Al220  1  0.912769  0.919635  0.476517  1
  Al  Al221  1  0.982407  0.556977  0.497563  1
  Al  Al222  1  0.412769  0.919635  0.476517  1
  Al  Al223  1  0.456702  0.232911  0.490416  1
  Al  Al224  1  0.956702  0.232911  0.490416  1
  Al  Al225  1  0.888886  0.595616  0.469731  1
  Al  Al226  1  0.026229  0.870418  0.511928  1
  Al  Al227  1  0.388886  0.595616  0.469731  1
  Al  Al228  1  0.526229  0.870418  0.511928  1
  Al  Al229  1  0.918887  0.156695  0.546012  1
  Al  Al230  1  0.418887  0.156695  0.546012  1
  Al  Al231  1  0.057097  0.430031  0.587294  1
  Al  Al232  1  0.486867  0.793766  0.567701  1
  Al  Al233  1  0.557097  0.430031  0.587294  1
  Al  Al234  1  0.986867  0.793766  0.567701  1
  Al  Al235  1  0.036680  0.969629  0.560531  1
  Al  Al236  1  0.536680  0.969629  0.560531  1
  Al  Al237  1  0.468894  0.332038  0.539324  1
  Al  Al238  1  0.608801  0.607589  0.580412  1
  Al  Al239  1  0.968894  0.332038  0.539324  1
  Al  Al240  1  0.108801  0.607589  0.580412  1
  Al  Al241  1  0.629748  0.930025  0.587241  1
  Al  Al242  1  0.129748  0.930025  0.587241  1
  Al  Al243  1  0.063662  0.293779  0.567672  1
  Al  Al244  1  0.494517  0.656665  0.545982  1
  Al  Al245  1  0.563662  0.293779  0.567672  1
  Al  Al246  1  0.994517  0.656665  0.545982  1
  Al  Al247  1  0.169461  0.008181  0.532185  1
  Al  Al248  1  0.669461  0.008181  0.532185  1
  Al  Al249  1  0.307163  0.284027  0.573865  1
  Al  Al250  1  0.740415  0.645674  0.553297  1
  Al  Al251  1  0.807163  0.284027  0.573865  1
  Al  Al252  1  0.240415  0.645674  0.553297  1
  Al  Al253  1  0.755696  0.107570  0.580334  1
  Al  Al254  1  0.255696  0.107570  0.580334  1
  Al  Al255  1  0.189803  0.469610  0.560454  1
  Al  Al256  1  0.619963  0.832023  0.539244  1
  Al  Al257  1  0.689803  0.469610  0.560454  1
  Al  Al258  1  0.119963  0.832023  0.539244  1
  Al  Al259  1  0.162239  0.145686  0.553332  1
  Al  Al260  1  0.662239  0.145686  0.553332  1
  Al  Al261  1  0.595649  0.508189  0.532227  1
  Al  Al262  1  0.733893  0.784050  0.573906  1
  Al  Al263  1  0.095649  0.508189  0.532227  1
  Al  Al264  1  0.233893  0.784050  0.573906  1
  Al  Al265  1  0.623422  0.069526  0.608905  1
  Al  Al266  1  0.123422  0.069526  0.608905  1
  Al  Al267  1  0.763757  0.344696  0.648756  1
  Al  Al268  1  0.195600  0.705640  0.628659  1
  Al  Al269  1  0.263757  0.344696  0.648756  1
  Al  Al270  1  0.695600  0.705640  0.628659  1
  Al  Al271  1  0.744053  0.881662  0.623192  1
  Al  Al272  1  0.244053  0.881662  0.623192  1
  Al  Al273  1  0.173129  0.245289  0.601935  1
  Al  Al274  1  0.315223  0.520551  0.643912  1
  Al  Al275  1  0.673129  0.245289  0.601935  1
  Al  Al276  1  0.815223  0.520551  0.643912  1
  Al  Al277  1  0.337923  0.844645  0.648707  1
  Al  Al278  1  0.837923  0.844645  0.648707  1
  Al  Al279  1  0.766946  0.205638  0.628615  1
  Al  Al280  1  0.202933  0.569517  0.608859  1
  Al  Al281  1  0.266946  0.205638  0.628615  1
  Al  Al282  1  0.702933  0.569517  0.608859  1
  Al  Al283  1  0.877504  0.920786  0.594519  1
  Al  Al284  1  0.377504  0.920786  0.594519  1
  Al  Al285  1  0.012685  0.195423  0.637415  1
  Al  Al286  1  0.444625  0.556808  0.617319  1
  Al  Al287  1  0.512685  0.195423  0.637415  1
  Al  Al288  1  0.944625  0.556808  0.617319  1
  Al  Al289  1  0.462480  0.020534  0.643838  1
  Al  Al290  1  0.962480  0.020534  0.643838  1
  Al  Al291  1  0.894618  0.381649  0.623107  1
  Al  Al292  1  0.329125  0.745285  0.601848  1
  Al  Al293  1  0.394618  0.381649  0.623107  1
  Al  Al294  1  0.829125  0.745285  0.601848  1
  Al  Al295  1  0.869339  0.056828  0.617354  1
  Al  Al296  1  0.369339  0.056828  0.617354  1
  Al  Al297  1  0.300364  0.420784  0.594552  1
  Al  Al298  1  0.439955  0.695471  0.637439  1
  Al  Al299  1  0.800364  0.420784  0.594552  1
  Al  Al300  1  0.939955  0.695471  0.637439  1
  Al  Al301  1  0.328188  0.984155  0.674110  1
  Al  Al302  1  0.828188  0.984155  0.674110  1
  Al  Al303  1  0.468063  0.261492  0.711924  1
  Al  Al304  1  0.905141  0.618622  0.693222  1
  Al  Al305  1  0.968063  0.261492  0.711924  1
  Al  Al306  1  0.405141  0.618622  0.693222  1
  Al  Al307  1  0.455318  0.791189  0.685996  1
  Al  Al308  1  0.955318  0.791189  0.685996  1
  Al  Al309  1  0.878146  0.155363  0.665960  1
  Al  Al310  1  0.010149  0.439875  0.704071  1
  Al  Al311  1  0.378146  0.155363  0.665960  1
  Al  Al312  1  0.510149  0.439875  0.704071  1
  Al  Al313  1  0.050576  0.761519  0.711898  1
  Al  Al314  1  0.550576  0.761519  0.711898  1
  Al  Al315  1  0.470533  0.118533  0.693215  1
  Al  Al316  1  0.913087  0.484195  0.674132  1
  Al  Al317  1  0.970533  0.118533  0.693215  1
  Al  Al318  1  0.413087  0.484195  0.674132  1
  Al  Al319  1  0.586771  0.832553  0.657437  1
  Al  Al320  1  0.086771  0.832553  0.657437  1
  Al  Al321  1  0.722369  0.103279  0.699245  1
  Al  Al322  1  0.142099  0.464996  0.682093  1
  Al  Al323  1  0.222369  0.103279  0.699245  1
  Al  Al324  1  0.642099  0.464996  0.682093  1
  Al  Al325  1  0.187058  0.939915  0.704009  1
  Al  Al326  1  0.687058  0.939915  0.704009  1
  Al  Al327  1  0.592992  0.291130  0.685934  1
  Al  Al328  1  0.034345  0.655407  0.665869  1
  Al  Al329  1  0.092992  0.291130  0.685934  1
  Al  Al330  1  0.534345  0.655407  0.665869  1
  Al  Al331  1  0.580186  0.965015  0.682113  1
  Al  Al332  1  0.080186  0.965015  0.682113  1
  Al  Al333  1  1.002983  0.332528  0.657455  1
  Al  Al334  1  0.138426  0.603303  0.699277  1
  Al  Al335  1  0.502983  0.332528  0.657455  1
  Al  Al336  1  0.638426  0.603303  0.699277  1
