# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96153512
_cell_length_b   11.61969101
_cell_length_c   51.67902299
_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   'Sm32 Al32'
_cell_volume   3579.86773443
_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  0.650575  0.521156  0.370111  1
  Sm  Sm2  1  0.873600  0.833015  0.370046  1
  Sm  Sm3  1  0.347588  0.021156  0.370111  1
  Sm  Sm4  1  0.124563  0.333015  0.370046  1
  Sm  Sm5  1  0.866909  0.685594  0.309513  1
  Sm  Sm6  1  0.637161  0.992310  0.309511  1
  Sm  Sm7  1  0.131254  0.185594  0.309513  1
  Sm  Sm8  1  0.361002  0.492310  0.309511  1
  Sm  Sm9  1  0.666629  0.513896  0.480328  1
  Sm  Sm10  1  0.881771  0.833223  0.480280  1
  Sm  Sm11  1  0.331534  0.013896  0.480328  1
  Sm  Sm12  1  0.116392  0.333223  0.480280  1
  Sm  Sm13  1  0.882362  0.666201  0.424548  1
  Sm  Sm14  1  0.669779  0.987633  0.424906  1
  Sm  Sm15  1  0.115800  0.166201  0.424548  1
  Sm  Sm16  1  0.328384  0.487633  0.424906  1
  Sm  Sm17  1  0.669617  0.513136  0.591618  1
  Sm  Sm18  1  0.882395  0.834475  0.591873  1
  Sm  Sm19  1  0.328545  0.013136  0.591618  1
  Sm  Sm20  1  0.115767  0.334475  0.591873  1
  Sm  Sm21  1  0.881618  0.667701  0.536160  1
  Sm  Sm22  1  0.666507  0.987040  0.536135  1
  Sm  Sm23  1  0.116545  0.167701  0.536160  1
  Sm  Sm24  1  0.331655  0.487040  0.536135  1
  Sm  Sm25  1  0.642786  0.510303  0.705356  1
  Sm  Sm26  1  0.868860  0.818911  0.705548  1
  Sm  Sm27  1  0.355377  0.010303  0.705356  1
  Sm  Sm28  1  0.129303  0.318911  0.705548  1
  Sm  Sm29  1  0.873317  0.667455  0.646255  1
  Sm  Sm30  1  0.655930  0.981319  0.646138  1
  Sm  Sm31  1  0.124846  0.167455  0.646255  1
  Sm  Sm32  1  0.342232  0.481319  0.646138  1
  Al  Al33  1  0.403517  0.757273  0.342552  1
  Al  Al34  1  0.594646  0.257273  0.342552  1
  Al  Al35  1  0.138348  0.596912  0.365202  1
  Al  Al36  1  0.859815  0.096912  0.365202  1
  Al  Al37  1  0.368820  0.760399  0.290450  1
  Al  Al38  1  0.629342  0.260399  0.290450  1
  Al  Al39  1  0.127084  0.920640  0.320327  1
  Al  Al40  1  0.871078  0.420640  0.320327  1
  Al  Al41  1  0.410025  0.750581  0.452615  1
  Al  Al42  1  0.588138  0.250581  0.452615  1
  Al  Al43  1  0.152434  0.598672  0.480513  1
  Al  Al44  1  0.845729  0.098672  0.480513  1
  Al  Al45  1  0.397672  0.749047  0.396759  1
  Al  Al46  1  0.600491  0.249047  0.396759  1
  Al  Al47  1  0.153593  0.901908  0.424698  1
  Al  Al48  1  0.844569  0.401908  0.424698  1
  Al  Al49  1  0.410234  0.750517  0.563870  1
  Al  Al50  1  0.587929  0.250517  0.563870  1
  Al  Al51  1  0.153662  0.599236  0.591627  1
  Al  Al52  1  0.844501  0.099236  0.591627  1
  Al  Al53  1  0.409780  0.750490  0.508233  1
  Al  Al54  1  0.588382  0.250490  0.508233  1
  Al  Al55  1  0.152341  0.902267  0.535972  1
  Al  Al56  1  0.845821  0.402267  0.535972  1
  Al  Al57  1  0.404509  0.747251  0.675267  1
  Al  Al58  1  0.593654  0.247251  0.675267  1
  Al  Al59  1  0.134376  0.585970  0.696199  1
  Al  Al60  1  0.863786  0.085970  0.696199  1
  Al  Al61  1  0.399455  0.751356  0.619931  1
  Al  Al62  1  0.598708  0.251356  0.619931  1
  Al  Al63  1  0.142340  0.902998  0.650408  1
  Al  Al64  1  0.855823  0.402998  0.650408  1
