# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94100767
_cell_length_b   16.24000911
_cell_length_c   49.32884773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl
_chemical_formula_sum   'Sm40 Al40'
_cell_volume   4759.34681009
_cell_formula_units_Z   40
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  0.673897  0.442071  0.361045  1
  Sm  Sm2  1  0.863715  0.847355  0.323623  1
  Sm  Sm3  1  0.327715  0.942071  0.361045  1
  Sm  Sm4  1  0.137897  0.347355  0.323623  1
  Sm  Sm5  1  0.900707  0.648888  0.343901  1
  Sm  Sm6  1  0.609519  0.065326  0.309947  1
  Sm  Sm7  1  0.100904  0.148888  0.343901  1
  Sm  Sm8  1  0.392092  0.565326  0.309947  1
  Sm  Sm9  1  0.660743  0.197421  0.442524  1
  Sm  Sm10  1  0.890779  0.604349  0.412199  1
  Sm  Sm11  1  0.340869  0.697421  0.442524  1
  Sm  Sm12  1  0.110832  0.104349  0.412199  1
  Sm  Sm13  1  0.877084  0.399427  0.428151  1
  Sm  Sm14  1  0.680164  0.810447  0.396178  1
  Sm  Sm15  1  0.124527  0.899427  0.428151  1
  Sm  Sm16  1  0.321448  0.310447  0.396178  1
  Sm  Sm17  1  0.671007  0.950630  0.526136  1
  Sm  Sm18  1  0.880195  0.359108  0.496190  1
  Sm  Sm19  1  0.330604  0.450630  0.526136  1
  Sm  Sm20  1  0.121416  0.859108  0.496190  1
  Sm  Sm21  1  0.880479  0.152288  0.510165  1
  Sm  Sm22  1  0.670086  0.560782  0.480341  1
  Sm  Sm23  1  0.121133  0.652288  0.510165  1
  Sm  Sm24  1  0.331526  0.060782  0.480341  1
  Sm  Sm25  1  0.669705  0.702561  0.610031  1
  Sm  Sm26  1  0.882389  0.112308  0.578718  1
  Sm  Sm27  1  0.331907  0.202561  0.610031  1
  Sm  Sm28  1  0.119223  0.612308  0.578718  1
  Sm  Sm29  1  0.885676  0.906258  0.594161  1
  Sm  Sm30  1  0.665242  0.314236  0.563655  1
  Sm  Sm31  1  0.115936  0.406258  0.594161  1
  Sm  Sm32  1  0.336369  0.814236  0.563655  1
  Sm  Sm33  1  0.647755  0.446336  0.694591  1
  Sm  Sm34  1  0.881403  0.864793  0.662991  1
  Sm  Sm35  1  0.353856  0.946336  0.694591  1
  Sm  Sm36  1  0.120209  0.364793  0.662991  1
  Sm  Sm37  1  0.855096  0.662821  0.681504  1
  Sm  Sm38  1  0.671592  0.069236  0.645422  1
  Sm  Sm39  1  0.146515  0.162821  0.681504  1
  Sm  Sm40  1  0.330019  0.569236  0.645422  1
  Al  Al41  1  0.379169  0.876665  0.300626  1
  Al  Al42  1  0.622443  0.376665  0.300626  1
  Al  Al43  1  0.162217  0.486597  0.369018  1
  Al  Al44  1  0.839394  0.986597  0.369018  1
  Al  Al45  1  0.400436  0.749887  0.337542  1
  Al  Al46  1  0.601175  0.249887  0.337542  1
  Al  Al47  1  0.103145  0.005932  0.304668  1
  Al  Al48  1  0.898466  0.505932  0.304668  1
  Al  Al49  1  0.419037  0.625201  0.377579  1
  Al  Al50  1  0.582574  0.125201  0.377579  1
  Al  Al51  1  0.148333  0.239278  0.456626  1
  Al  Al52  1  0.853279  0.739278  0.456626  1
  Al  Al53  1  0.404796  0.502519  0.418918  1
  Al  Al54  1  0.596816  1.002519  0.418918  1
  Al  Al55  1  0.162047  0.765666  0.383687  1
  Al  Al56  1  0.839564  0.265666  0.383687  1
  Al  Al57  1  0.406041  0.378738  0.461414  1
  Al  Al58  1  0.595571  0.878738  0.461414  1
  Al  Al59  1  0.156680  0.992766  0.540605  1
  Al  Al60  1  0.844931  0.492766  0.540605  1
  Al  Al61  1  0.405198  0.255649  0.503118  1
  Al  Al62  1  0.596414  0.755649  0.503118  1
  Al  Al63  1  0.156540  0.519073  0.465673  1
  Al  Al64  1  0.845071  0.019073  0.465673  1
  Al  Al65  1  0.409216  0.132586  0.544984  1
  Al  Al66  1  0.592396  0.632586  0.544984  1
  Al  Al67  1  0.149667  0.746321  0.623190  1
  Al  Al68  1  0.851945  0.246321  0.623190  1
  Al  Al69  1  0.406233  0.009013  0.587200  1
  Al  Al70  1  0.595378  0.509013  0.587200  1
  Al  Al71  1  0.151685  0.271730  0.549660  1
  Al  Al72  1  0.849927  0.771730  0.549660  1
  Al  Al73  1  0.409385  0.885540  0.628605  1
  Al  Al74  1  0.592226  0.385540  0.628605  1
  Al  Al75  1  0.148624  0.515345  0.701506  1
  Al  Al76  1  0.852988  0.015345  0.701506  1
  Al  Al77  1  0.387353  0.758938  0.669272  1
  Al  Al78  1  0.614259  0.258938  0.669272  1
  Al  Al79  1  0.157874  0.025422  0.635511  1
  Al  Al80  1  0.843737  0.525422  0.635511  1
