# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45977049
_cell_length_b   35.51440250
_cell_length_c   51.29522644
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.61948507
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm84
_cell_volume   6296.14491722
_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  0.564847  0.044331  0.288206  1
  Sm  Sm2  1  0.729973  0.373371  0.267261  1
  Sm  Sm3  1  0.400512  0.711723  0.310198  1
  Sm  Sm4  1  0.650481  0.207835  0.278157  1
  Sm  Sm5  1  0.814158  0.536152  0.256474  1
  Sm  Sm6  1  0.483097  0.878322  0.299172  1
  Sm  Sm7  1  0.192225  0.294970  0.304430  1
  Sm  Sm8  1  0.356503  0.624818  0.281643  1
  Sm  Sm9  1  0.521535  0.956523  0.259852  1
  Sm  Sm10  1  0.609517  0.130613  0.317019  1
  Sm  Sm11  1  0.774549  0.459720  0.295430  1
  Sm  Sm12  1  0.939639  0.790650  0.272448  1
  Sm  Sm13  1  0.069849  0.052477  0.355233  1
  Sm  Sm14  1  0.235241  0.382045  0.333796  1
  Sm  Sm15  1  0.905049  0.721604  0.376951  1
  Sm  Sm16  1  0.153645  0.217501  0.344624  1
  Sm  Sm17  1  0.318308  0.546896  0.322656  1
  Sm  Sm18  1  0.987414  0.887005  0.365848  1
  Sm  Sm19  1  0.696557  0.304225  0.371369  1
  Sm  Sm20  1  0.861422  0.634017  0.348734  1
  Sm  Sm21  1  0.026200  0.965539  0.326387  1
  Sm  Sm22  1  0.114055  0.139556  0.384045  1
  Sm  Sm23  1  0.279145  0.469354  0.362379  1
  Sm  Sm24  1  0.444019  0.799782  0.338869  1
  Sm  Sm25  1  0.574588  0.061498  0.421919  1
  Sm  Sm26  1  0.739928  0.391447  0.400357  1
  Sm  Sm27  1  0.409577  0.731040  0.443809  1
  Sm  Sm28  1  0.657779  0.226549  0.411219  1
  Sm  Sm29  1  0.822719  0.556552  0.389081  1
  Sm  Sm30  1  0.491901  0.896158  0.432611  1
  Sm  Sm31  1  0.200998  0.313515  0.438175  1
  Sm  Sm32  1  0.366065  0.643704  0.415434  1
  Sm  Sm33  1  0.530766  0.974125  0.392986  1
  Sm  Sm34  1  0.618570  0.148737  0.450843  1
  Sm  Sm35  1  0.783670  0.478852  0.429049  1
  Sm  Sm36  1  0.948545  0.809055  0.405644  1
  Sm  Sm37  1  0.079282  0.070638  0.488594  1
  Sm  Sm38  1  0.244499  0.400817  0.467023  1
  Sm  Sm39  1  0.914088  0.740381  0.510596  1
  Sm  Sm40  1  0.162152  0.235788  0.477931  1
  Sm  Sm41  1  0.327179  0.566015  0.455697  1
  Sm  Sm42  1  0.996421  0.905449  0.499328  1
  Sm  Sm43  1  0.705482  0.322814  0.504943  1
  Sm  Sm44  1  0.870569  0.653077  0.482202  1
  Sm  Sm45  1  0.035401  0.983293  0.459644  1
  Sm  Sm46  1  0.123158  0.157952  0.517561  1
  Sm  Sm47  1  0.288146  0.488241  0.495694  1
  Sm  Sm48  1  0.453068  0.818369  0.472450  1
  Sm  Sm49  1  0.583979  0.079798  0.555270  1
  Sm  Sm50  1  0.748973  0.410128  0.533728  1
  Sm  Sm51  1  0.418712  0.749802  0.577288  1
  Sm  Sm52  1  0.666632  0.245024  0.544680  1
  Sm  Sm53  1  0.831644  0.575430  0.522388  1
  Sm  Sm54  1  0.500867  0.914800  0.566002  1
  Sm  Sm55  1  0.209955  0.332059  0.571728  1
  Sm  Sm56  1  0.375063  0.662457  0.549014  1
  Sm  Sm57  1  0.540015  0.992547  0.526338  1
  Sm  Sm58  1  0.627774  0.167110  0.584247  1
  Sm  Sm59  1  0.792614  0.497610  0.562337  1
  Sm  Sm60  1  0.957596  0.827731  0.539213  1
  Sm  Sm61  1  0.088701  0.088851  0.621963  1
  Sm  Sm62  1  0.253379  0.419411  0.600487  1
  Sm  Sm63  1  0.923559  0.759664  0.643734  1
  Sm  Sm64  1  0.171081  0.254131  0.611471  1
  Sm  Sm65  1  0.336188  0.584944  0.589187  1
  Sm  Sm66  1  1.005110  0.924041  0.632591  1
  Sm  Sm67  1  0.714397  0.341224  0.638513  1
  Sm  Sm68  1  0.879685  0.672025  0.615917  1
  Sm  Sm69  1  0.044580  1.001812  0.593114  1
  Sm  Sm70  1  0.132298  0.175658  0.650890  1
  Sm  Sm71  1  0.297088  0.507063  0.628827  1
  Sm  Sm72  1  0.462136  0.837222  0.605936  1
  Sm  Sm73  1  0.593567  0.096902  0.689036  1
  Sm  Sm74  1  0.757803  0.429028  0.667153  1
  Sm  Sm75  1  0.429738  0.769684  0.709986  1
  Sm  Sm76  1  0.675349  0.262764  0.678174  1
  Sm  Sm77  1  0.840684  0.594488  0.656028  1
  Sm  Sm78  1  0.508485  0.933910  0.699131  1
  Sm  Sm79  1  0.218745  0.350357  0.704996  1
  Sm  Sm80  1  0.383728  0.681538  0.683047  1
  Sm  Sm81  1  0.549143  0.010844  0.660132  1
  Sm  Sm82  1  0.636983  0.184579  0.717467  1
  Sm  Sm83  1  0.801551  0.516429  0.695561  1
  Sm  Sm84  1  0.966859  0.846976  0.672724  1
