# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.14965014
_cell_length_b   13.00734743
_cell_length_c   45.65776258
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.52172956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm96 Al96'
_cell_volume   10659.8288996
_cell_formula_units_Z   96
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  0.712034  0.899716  0.361419  1
  Sm  Sm2  1  0.281986  0.040790  0.286155  1
  Sm  Sm3  1  0.026199  0.977648  0.316102  1
  Sm  Sm4  1  0.695979  0.279087  0.305211  1
  Sm  Sm5  1  0.372511  0.249789  0.344928  1
  Sm  Sm6  1  0.059298  0.183118  0.387408  1
  Sm  Sm7  1  0.718073  0.362058  0.378613  1
  Sm  Sm8  1  0.330809  0.497441  0.303275  1
  Sm  Sm9  1  0.027231  0.431273  0.346706  1
  Sm  Sm10  1  0.672273  0.812959  0.278881  1
  Sm  Sm11  1  0.337964  0.796467  0.315074  1
  Sm  Sm12  1  0.031671  0.729767  0.354361  1
  Sm  Sm13  1  0.893100  0.021101  0.384979  1
  Sm  Sm14  1  0.500073  0.127802  0.305221  1
  Sm  Sm15  1  0.196415  0.076083  0.351172  1
  Sm  Sm16  1  0.786659  0.537322  0.281071  1
  Sm  Sm17  1  0.535777  0.442439  0.309424  1
  Sm  Sm18  1  0.208064  0.383270  0.359800  1
  Sm  Sm19  1  0.862825  0.567131  0.355765  1
  Sm  Sm20  1  0.487996  0.687026  0.279878  1
  Sm  Sm21  1  0.163958  0.621556  0.315562  1
  Sm  Sm22  1  0.833362  0.003091  0.301558  1
  Sm  Sm23  1  0.525300  0.899022  0.337796  1
  Sm  Sm24  1  0.216159  0.845327  0.376501  1
  Sm  Sm25  1  0.786294  0.707000  0.473154  1
  Sm  Sm26  1  0.398889  0.838382  0.396816  1
  Sm  Sm27  1  0.094256  0.775948  0.435389  1
  Sm  Sm28  1  0.748363  0.116355  0.421502  1
  Sm  Sm29  1  0.446330  0.054384  0.456536  1
  Sm  Sm30  1  0.140870  0.994047  0.496954  1
  Sm  Sm31  1  0.801383  0.178493  0.491218  1
  Sm  Sm32  1  0.408154  0.303628  0.416994  1
  Sm  Sm33  1  0.108363  0.242166  0.456779  1
  Sm  Sm34  1  0.721537  0.661741  0.393088  1
  Sm  Sm35  1  0.418964  0.603640  0.427492  1
  Sm  Sm36  1  0.115636  0.545611  0.467086  1
  Sm  Sm37  1  0.973031  0.826760  0.495435  1
  Sm  Sm38  1  0.582869  0.948523  0.418885  1
  Sm  Sm39  1  0.278658  0.889650  0.458174  1
  Sm  Sm40  1  0.895973  0.316956  0.395435  1
  Sm  Sm41  1  0.588271  0.250021  0.429230  1
  Sm  Sm42  1  0.287844  0.188118  0.470730  1
  Sm  Sm43  1  0.948769  0.376412  0.466201  1
  Sm  Sm44  1  0.553422  0.494432  0.388319  1
  Sm  Sm45  1  0.251355  0.439596  0.430315  1
  Sm  Sm46  1  0.907391  0.782107  0.415499  1
  Sm  Sm47  1  0.602317  0.717267  0.451011  1
  Sm  Sm48  1  0.299158  0.657744  0.488939  1
  Sm  Sm49  1  0.874000  0.520972  0.583117  1
  Sm  Sm50  1  0.482233  0.645336  0.509678  1
  Sm  Sm51  1  0.179073  0.585812  0.547606  1
  Sm  Sm52  1  0.832622  0.926668  0.532415  1
  Sm  Sm53  1  0.530035  0.863484  0.568301  1
  Sm  Sm54  1  0.227968  0.808647  0.610298  1
  Sm  Sm55  1  0.885418  0.986124  0.603182  1
  Sm  Sm56  1  0.493547  0.114961  0.527886  1
  Sm  Sm57  1  0.193120  0.053058  0.569387  1
  Sm  Sm58  1  0.808359  0.476319  0.503182  1
  Sm  Sm59  1  0.502733  0.413430  0.540443  1
  Sm  Sm60  1  0.198522  0.354557  0.579731  1
  Sm  Sm61  1  0.059854  0.641338  0.605529  1
  Sm  Sm62  1  0.665755  0.757469  0.531530  1
  Sm  Sm63  1  0.362426  0.699440  0.571125  1
  Sm  Sm64  1  0.980007  0.124587  0.507398  1
  Sm  Sm65  1  0.673028  0.060913  0.541838  1
  Sm  Sm66  1  0.373237  0.999452  0.581622  1
  Sm  Sm67  1  0.033028  0.186725  0.577115  1
  Sm  Sm68  1  0.640520  0.309032  0.501662  1
  Sm  Sm69  1  0.335060  0.248695  0.542081  1
  Sm  Sm70  1  0.995097  0.596080  0.525462  1
  Sm  Sm71  1  0.687134  0.527132  0.563227  1
  Sm  Sm72  1  0.382502  0.464698  0.601800  1
  Sm  Sm73  1  0.948028  0.299988  0.697058  1
  Sm  Sm74  1  0.565232  0.457753  0.622116  1
  Sm  Sm75  1  0.256090  0.404058  0.660820  1
  Sm  Sm76  1  0.918565  0.735948  0.642852  1
  Sm  Sm77  1  0.617432  0.681524  0.683054  1
  Sm  Sm78  1  0.293395  0.616054  0.718739  1
  Sm  Sm79  1  0.994731  0.765757  0.717546  1
  Sm  Sm80  1  0.573326  0.919809  0.638817  1
  Sm  Sm81  1  0.245614  0.860641  0.689192  1
  Sm  Sm82  1  0.888291  0.281979  0.613638  1
  Sm  Sm83  1  0.584975  0.226997  0.647445  1
  Sm  Sm84  1  0.281317  0.175277  0.693396  1
  Sm  Sm85  1  0.109118  0.490121  0.719736  1
  Sm  Sm86  1  0.749719  0.573313  0.644256  1
  Sm  Sm87  1  0.443426  0.506613  0.683542  1
  Sm  Sm88  1  0.063318  0.941021  0.620004  1
  Sm  Sm89  1  0.754159  0.871806  0.651910  1
  Sm  Sm90  1  0.450581  0.805638  0.695342  1
  Sm  Sm91  1  0.085411  0.023993  0.693405  1
  Sm  Sm92  1  0.722093  0.119961  0.611208  1
  Sm  Sm93  1  0.408880  0.053291  0.653689  1
  Sm  Sm94  1  0.069356  0.403363  0.637197  1
  Sm  Sm95  1  0.755192  0.325432  0.682515  1
  Sm  Sm96  1  0.499404  0.262289  0.712462  1
  Al  Al97  1  0.782633  0.155568  0.351416  1
  Al  Al98  1  0.475925  0.092614  0.383574  1
  Al  Al99  1  0.088935  0.220970  0.320106  1
  Al  Al100  1  0.761444  0.718158  0.324314  1
  Al  Al101  1  0.448120  0.650846  0.349086  1
  Al  Al102  1  0.049905  0.756510  0.284994  1
  Al  Al103  1  0.664611  0.037877  0.310573  1
  Al  Al104  1  0.363510  0.003691  0.347383  1
  Al  Al105  1  0.980922  0.326728  0.288387  1
  Al  Al106  1  0.687642  0.520974  0.335915  1
  Al  Al107  1  0.380991  0.467916  0.370513  1
  Al  Al108  1  0.967563  0.560008  0.299523  1
  Al  Al109  1  0.938672  0.189949  0.335627  1
  Al  Al110  1  0.628341  0.117696  0.365270  1
  Al  Al111  1  0.239453  0.259081  0.302156  1
  Al  Al112  1  0.903736  0.749379  0.299171  1
  Al  Al113  1  0.603327  0.680201  0.334507  1
  Al  Al114  1  0.294510  0.624577  0.368203  1
  Al  Al115  1  0.858086  0.356334  0.325486  1
  Al  Al116  1  0.548669  0.279047  0.359751  1
  Al  Al117  1  0.143028  0.399655  0.293172  1
  Al  Al118  1  0.879584  0.825567  0.350979  1
  Al  Al119  1  0.556023  0.739031  0.387225  1
  Al  Al120  1  0.168128  0.864082  0.313311  1
  Al  Al121  1  0.862724  0.966160  0.461473  1
  Al  Al122  1  0.556437  0.902127  0.497368  1
  Al  Al123  1  0.168385  0.028365  0.424795  1
  Al  Al124  1  0.834015  0.525478  0.426149  1
  Al  Al125  1  0.527942  0.462337  0.461382  1
  Al  Al126  1  0.142227  0.591925  0.388369  1
  Al  Al127  1  0.751924  0.873888  0.425105  1
  Al  Al128  1  0.445092  0.811725  0.461149  1
  Al  Al129  1  0.053856  0.939133  0.385330  1
  Al  Al130  1  0.765948  0.338018  0.446339  1
  Al  Al131  1  0.461734  0.276050  0.483323  1
  Al  Al132  1  0.075175  0.405037  0.411866  1
  Al  Al133  1  0.016461  0.997336  0.442674  1
  Al  Al134  1  0.709111  0.933094  0.479311  1
  Al  Al135  1  0.323544  0.060256  0.404336  1
  Al  Al136  1  0.988351  0.560429  0.407902  1
  Al  Al137  1  0.679000  0.491217  0.443532  1
  Al  Al138  1  0.376606  0.432951  0.481917  1
  Al  Al139  1  0.930258  0.156010  0.441326  1
  Al  Al140  1  0.622913  0.089663  0.475292  1
  Al  Al141  1  0.238533  0.218757  0.404447  1
  Al  Al142  1  0.945627  0.617421  0.462339  1
  Al  Al143  1  0.638674  0.548924  0.498847  1
  Al  Al144  1  0.253532  0.681394  0.424393  1
  Al  Al145  1  0.947376  0.777602  0.572468  1
  Al  Al146  1  0.639164  0.711155  0.610248  1
  Al  Al147  1  0.253448  0.840743  0.537234  1
  Al  Al148  1  0.918666  0.336919  0.537144  1
  Al  Al149  1  0.613005  0.274714  0.573821  1
  Al  Al150  1  0.224954  0.400953  0.501249  1
  Al  Al151  1  0.835764  0.685659  0.536277  1
  Al  Al152  1  0.527859  0.621686  0.574224  1
  Al  Al153  1  0.142717  0.754155  0.499770  1
  Al  Al154  1  0.851132  0.147070  0.557290  1
  Al  Al155  1  0.542858  0.084322  0.594170  1
  Al  Al156  1  0.158478  0.213416  0.523324  1
  Al  Al157  1  0.102391  0.811863  0.555085  1
  Al  Al158  1  0.793039  0.742650  0.590714  1
  Al  Al159  1  0.404784  0.870129  0.516700  1
  Al  Al160  1  0.072279  0.369986  0.519306  1
  Al  Al161  1  0.764929  0.305743  0.555943  1
  Al  Al162  1  0.457847  0.242824  0.594281  1
  Al  Al163  1  0.015442  0.965062  0.552278  1
  Al  Al164  1  0.706216  0.898043  0.586751  1
  Al  Al165  1  0.319656  0.027030  0.515293  1
  Al  Al166  1  0.029466  0.429192  0.573512  1
  Al  Al167  1  0.727534  0.363946  0.613287  1
  Al  Al168  1  0.336299  0.491354  0.537467  1
  Al  Al169  1  0.019947  0.584922  0.674303  1
  Al  Al170  1  0.731485  0.546570  0.713622  1
  Al  Al171  1  0.333270  0.652234  0.649530  1
  Al  Al172  1  0.998758  0.147512  0.647201  1
  Al  Al173  1  0.692455  0.082110  0.678510  1
  Al  Al174  1  0.305466  0.210466  0.615042  1
  Al  Al175  1  0.901807  0.477513  0.647638  1
  Al  Al176  1  0.613263  0.438997  0.685306  1
  Al  Al177  1  0.225368  0.564048  0.611391  1
  Al  Al178  1  0.923305  0.946745  0.673131  1
  Al  Al179  1  0.638362  0.903424  0.705444  1
  Al  Al180  1  0.232721  0.024032  0.638866  1
  Al  Al181  1  0.178064  0.622879  0.664110  1
  Al  Al182  1  0.877655  0.553700  0.699445  1
  Al  Al183  1  0.486881  0.678503  0.630413  1
  Al  Al184  1  0.153049  0.185383  0.633347  1
  Al  Al185  1  0.842719  0.113131  0.662989  1
  Al  Al186  1  0.541938  0.043998  0.696461  1
  Al  Al187  1  0.093749  0.782105  0.662701  1
  Al  Al188  1  0.813827  0.743072  0.699093  1
  Al  Al189  1  0.400399  0.835164  0.628104  1
  Al  Al190  1  0.116780  0.265202  0.688043  1
  Al  Al191  1  0.800469  0.976351  0.710230  1
  Al  Al192  1  0.417881  0.299389  0.651234  1
