# generated using pymatgen
data_SmAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32422710
_cell_length_b   11.23435487
_cell_length_c   52.65006673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.46417103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl3
_chemical_formula_sum   'Sm20 Al60'
_cell_volume   3587.33420573
_cell_formula_units_Z   20
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  0.073700  0.138520  0.340384  1
  Sm  Sm2  1  0.892613  0.776882  0.295501  1
  Sm  Sm3  1  0.706997  0.406250  0.334440  1
  Sm  Sm4  1  0.523191  0.038833  0.289371  1
  Sm  Sm5  1  0.441232  0.872796  0.431566  1
  Sm  Sm6  1  0.256749  0.504270  0.385567  1
  Sm  Sm7  1  0.075577  0.142730  0.424820  1
  Sm  Sm8  1  0.890656  0.773281  0.379012  1
  Sm  Sm9  1  0.809822  0.609181  0.522296  1
  Sm  Sm10  1  0.625738  0.241419  0.477033  1
  Sm  Sm11  1  0.444154  0.879064  0.515445  1
  Sm  Sm12  1  0.260070  0.511302  0.470183  1
  Sm  Sm13  1  0.179236  0.347202  0.613467  1
  Sm  Sm14  1  0.994315  0.977753  0.567659  1
  Sm  Sm15  1  0.813143  0.616214  0.606912  1
  Sm  Sm16  1  0.628661  0.247687  0.560913  1
  Sm  Sm17  1  0.546701  0.081651  0.703108  1
  Sm  Sm18  1  0.362895  0.714234  0.658038  1
  Sm  Sm19  1  0.177279  0.343602  0.696977  1
  Sm  Sm20  1  0.996192  0.981964  0.652095  1
  Al  Al21  1  0.214044  0.420398  0.328818  1
  Al  Al22  1  0.034897  0.062333  0.283586  1
  Al  Al23  1  0.916110  0.278495  0.292743  1
  Al  Al24  1  0.098363  0.641486  0.338631  1
  Al  Al25  1  0.370674  0.278489  0.292684  1
  Al  Al26  1  0.551217  0.641435  0.338580  1
  Al  Al27  1  0.566728  0.124645  0.345038  1
  Al  Al28  1  0.379145  0.750180  0.298340  1
  Al  Al29  1  0.502156  0.531114  0.288955  1
  Al  Al30  1  0.680234  0.902691  0.335620  1
  Al  Al31  1  0.036465  0.531154  0.288981  1
  Al  Al32  1  0.230792  0.902745  0.335681  1
  Al  Al33  1  0.581269  0.154103  0.421020  1
  Al  Al34  1  0.396717  0.785419  0.375515  1
  Al  Al35  1  0.279904  0.008247  0.385000  1
  Al  Al36  1  0.465184  0.377178  0.430277  1
  Al  Al37  1  0.736852  0.008219  0.384934  1
  Al  Al38  1  0.920887  0.377151  0.430214  1
  Al  Al39  1  0.935401  0.861146  0.435028  1
  Al  Al40  1  0.750712  0.492227  0.390316  1
  Al  Al41  1  0.866493  0.269326  0.380828  1
  Al  Al42  1  0.051869  0.638286  0.425824  1
  Al  Al43  1  0.411627  0.269363  0.380888  1
  Al  Al44  1  0.595613  0.638311  0.425885  1
  Al  Al45  1  0.949966  0.890678  0.511698  1
  Al  Al46  1  0.765847  0.522847  0.466135  1
  Al  Al47  1  0.651278  0.745551  0.475482  1
  Al  Al48  1  0.835047  0.113653  0.521069  1
  Al  Al49  1  0.103560  0.745519  0.475421  1
  Al  Al50  1  0.288299  0.113621  0.521004  1
  Al  Al51  1  0.304046  0.597636  0.526343  1
  Al  Al52  1  0.119927  0.229806  0.480781  1
  Al  Al53  1  0.234845  0.006830  0.471410  1
  Al  Al54  1  0.418614  0.374932  0.516996  1
  Al  Al55  1  0.781593  0.006862  0.471475  1
  Al  Al56  1  0.966332  0.374964  0.517058  1
  Al  Al57  1  0.319180  0.628257  0.602163  1
  Al  Al58  1  0.134491  0.259337  0.557451  1
  Al  Al59  1  0.018023  0.482198  0.566655  1
  Al  Al60  1  0.203399  0.851157  0.611650  1
  Al  Al61  1  0.474279  0.482173  0.566594  1
  Al  Al62  1  0.658265  0.851121  0.611591  1
  Al  Al63  1  0.673176  0.335064  0.616964  1
  Al  Al64  1  0.488624  0.966380  0.571459  1
  Al  Al65  1  0.604708  0.743306  0.562202  1
  Al  Al66  1  0.789988  0.112237  0.607479  1
  Al  Al67  1  0.149006  0.743332  0.562265  1
  Al  Al68  1  0.333041  0.112265  0.607545  1
  Al  Al69  1  0.690748  0.370303  0.694139  1
  Al  Al70  1  0.503165  0.995839  0.647440  1
  Al  Al71  1  0.389658  0.217792  0.656859  1
  Al  Al72  1  0.567736  0.589370  0.703524  1
  Al  Al73  1  0.839101  0.217738  0.656797  1
  Al  Al74  1  0.033428  0.589329  0.703498  1
  Al  Al75  1  0.034995  0.058150  0.708893  1
  Al  Al76  1  0.855848  0.700085  0.663660  1
  Al  Al77  1  0.971530  0.478997  0.653848  1
  Al  Al78  1  0.153782  0.841988  0.699736  1
  Al  Al79  1  0.518675  0.479048  0.653899  1
  Al  Al80  1  0.699218  0.841995  0.699795  1
