# generated using pymatgen
data_SmAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01448661
_cell_length_b   11.39673943
_cell_length_c   51.40090555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAl2
_chemical_formula_sum   'Sm32 Al64'
_cell_volume   4694.90811065
_cell_formula_units_Z   32
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  0.765625  0.084022  0.294250  1
  Sm  Sm2  1  0.491278  0.834022  0.294250  1
  Sm  Sm3  1  0.255824  0.334022  0.351905  1
  Sm  Sm4  1  1.001080  0.084022  0.351905  1
  Sm  Sm5  1  0.255824  0.834022  0.351905  1
  Sm  Sm6  1  1.001080  0.584022  0.351905  1
  Sm  Sm7  1  0.765625  0.584022  0.294250  1
  Sm  Sm8  1  0.491278  0.334022  0.294250  1
  Sm  Sm9  1  0.752373  0.584022  0.406708  1
  Sm  Sm10  1  0.504530  0.334022  0.406708  1
  Sm  Sm11  1  0.253727  0.834022  0.462475  1
  Sm  Sm12  1  1.003177  0.584022  0.462475  1
  Sm  Sm13  1  0.253727  0.334022  0.462475  1
  Sm  Sm14  1  1.003177  0.084022  0.462475  1
  Sm  Sm15  1  0.752373  0.084022  0.406708  1
  Sm  Sm16  1  0.504530  0.834022  0.406708  1
  Sm  Sm17  1  0.753696  0.084022  0.518215  1
  Sm  Sm18  1  0.503208  0.834022  0.518215  1
  Sm  Sm19  1  0.252544  0.334022  0.573985  1
  Sm  Sm20  1  0.004360  0.084022  0.573985  1
  Sm  Sm21  1  0.252544  0.834022  0.573985  1
  Sm  Sm22  1  0.004360  0.584022  0.573985  1
  Sm  Sm23  1  0.753696  0.584022  0.518215  1
  Sm  Sm24  1  0.503208  0.334022  0.518215  1
  Sm  Sm25  1  0.756080  0.584022  0.629097  1
  Sm  Sm26  1  0.500824  0.334022  0.629097  1
  Sm  Sm27  1  0.263895  0.834022  0.687273  1
  Sm  Sm28  1  0.993009  0.584022  0.687273  1
  Sm  Sm29  1  0.263895  0.334022  0.687273  1
  Sm  Sm30  1  0.993009  0.084022  0.687273  1
  Sm  Sm31  1  0.756080  0.084022  0.629097  1
  Sm  Sm32  1  0.500824  0.834022  0.629097  1
  Al  Al33  1  0.874687  0.834022  0.322913  1
  Al  Al34  1  0.877404  0.834022  0.378712  1
  Al  Al35  1  0.628452  0.709022  0.350302  1
  Al  Al36  1  0.628452  0.959022  0.350302  1
  Al  Al37  1  0.379499  0.084022  0.378712  1
  Al  Al38  1  0.382217  0.584022  0.322913  1
  Al  Al39  1  0.128452  0.459022  0.298653  1
  Al  Al40  1  0.128452  0.709022  0.298653  1
  Al  Al41  1  0.379499  0.584022  0.378712  1
  Al  Al42  1  0.382217  0.084022  0.322913  1
  Al  Al43  1  0.128452  0.959022  0.298653  1
  Al  Al44  1  0.128452  0.209022  0.298653  1
  Al  Al45  1  0.874687  0.334022  0.322913  1
  Al  Al46  1  0.877404  0.334022  0.378712  1
  Al  Al47  1  0.628452  0.209022  0.350302  1
  Al  Al48  1  0.628452  0.459022  0.350302  1
  Al  Al49  1  0.878248  0.334022  0.434639  1
  Al  Al50  1  0.878458  0.334022  0.490343  1
  Al  Al51  1  0.628452  0.209022  0.462500  1
  Al  Al52  1  0.628452  0.459022  0.462500  1
  Al  Al53  1  0.378446  0.584022  0.490343  1
  Al  Al54  1  0.378656  0.084022  0.434639  1
  Al  Al55  1  0.128452  0.959022  0.406945  1
  Al  Al56  1  0.128452  0.209022  0.406945  1
  Al  Al57  1  0.378446  0.084022  0.490343  1
  Al  Al58  1  0.378656  0.584022  0.434639  1
  Al  Al59  1  0.128452  0.459022  0.406945  1
  Al  Al60  1  0.128452  0.709022  0.406945  1
  Al  Al61  1  0.878248  0.834022  0.434639  1
  Al  Al62  1  0.878458  0.834022  0.490343  1
  Al  Al63  1  0.628452  0.709022  0.462500  1
  Al  Al64  1  0.628452  0.959022  0.462500  1
  Al  Al65  1  0.878519  0.834022  0.546030  1
  Al  Al66  1  0.879888  0.834022  0.601753  1
  Al  Al67  1  0.628452  0.709022  0.573814  1
  Al  Al68  1  0.628452  0.959022  0.573814  1
  Al  Al69  1  0.377016  0.084022  0.601753  1
  Al  Al70  1  0.378384  0.584022  0.546030  1
  Al  Al71  1  0.128452  0.459022  0.518188  1
  Al  Al72  1  0.128452  0.709022  0.518188  1
  Al  Al73  1  0.377016  0.584022  0.601753  1
  Al  Al74  1  0.378384  0.084022  0.546030  1
  Al  Al75  1  0.128452  0.959022  0.518188  1
  Al  Al76  1  0.128452  0.209022  0.518188  1
  Al  Al77  1  0.878519  0.334022  0.546030  1
  Al  Al78  1  0.879888  0.334022  0.601753  1
  Al  Al79  1  0.628452  0.209022  0.573814  1
  Al  Al80  1  0.628452  0.459022  0.573814  1
  Al  Al81  1  0.880429  0.334022  0.656684  1
  Al  Al82  1  0.878840  0.334022  0.710230  1
  Al  Al83  1  0.628452  0.209022  0.683183  1
  Al  Al84  1  0.628452  0.459022  0.683183  1
  Al  Al85  1  0.378064  0.584022  0.710230  1
  Al  Al86  1  0.376475  0.084022  0.656684  1
  Al  Al87  1  0.128452  0.959022  0.630718  1
  Al  Al88  1  0.128452  0.209022  0.630718  1
  Al  Al89  1  0.378064  0.084022  0.710230  1
  Al  Al90  1  0.376475  0.584022  0.656684  1
  Al  Al91  1  0.128452  0.459022  0.630718  1
  Al  Al92  1  0.128452  0.709022  0.630718  1
  Al  Al93  1  0.880429  0.834022  0.656684  1
  Al  Al94  1  0.878840  0.834022  0.710230  1
  Al  Al95  1  0.628452  0.709022  0.683183  1
  Al  Al96  1  0.628452  0.959022  0.683183  1
