# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75543744
_cell_length_b   13.04235023
_cell_length_c   47.51424712
_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   3566.62991204
_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  0.250182  0.797935  0.370014  1
  Sm  Sm2  1  0.250182  0.589086  0.310028  1
  Sm  Sm3  1  0.250182  0.338003  0.353116  1
  Sm  Sm4  1  0.250182  0.030270  0.342188  1
  Sm  Sm5  1  0.750182  0.730055  0.327499  1
  Sm  Sm6  1  0.750182  0.426200  0.314764  1
  Sm  Sm7  1  0.750182  0.168322  0.361670  1
  Sm  Sm8  1  0.750182  0.980886  0.295952  1
  Sm  Sm9  1  0.250182  0.593615  0.481627  1
  Sm  Sm10  1  0.250182  0.384623  0.422068  1
  Sm  Sm11  1  0.250182  0.127749  0.463589  1
  Sm  Sm12  1  0.250182  0.828884  0.451533  1
  Sm  Sm13  1  0.750182  0.518087  0.440047  1
  Sm  Sm14  1  0.750182  0.221482  0.429373  1
  Sm  Sm15  1  0.750182  0.961837  0.470170  1
  Sm  Sm16  1  0.750182  0.753471  0.409755  1
  Sm  Sm17  1  0.250182  0.386666  0.593988  1
  Sm  Sm18  1  0.250182  0.178301  0.533573  1
  Sm  Sm19  1  0.250182  0.918656  0.574370  1
  Sm  Sm20  1  0.250182  0.622051  0.563696  1
  Sm  Sm21  1  0.750182  0.311253  0.552210  1
  Sm  Sm22  1  0.750182  0.012388  0.540154  1
  Sm  Sm23  1  0.750182  0.755514  0.581675  1
  Sm  Sm24  1  0.750182  0.546523  0.522116  1
  Sm  Sm25  1  0.250182  0.159252  0.707791  1
  Sm  Sm26  1  0.250182  0.971816  0.642073  1
  Sm  Sm27  1  0.250182  0.713938  0.688979  1
  Sm  Sm28  1  0.250182  0.410082  0.676244  1
  Sm  Sm29  1  0.750182  0.109867  0.661555  1
  Sm  Sm30  1  0.750182  0.802134  0.650627  1
  Sm  Sm31  1  0.750182  0.551051  0.693715  1
  Sm  Sm32  1  0.750182  0.342202  0.633729  1
  Al  Al33  1  0.500798  0.562222  0.371326  1
  Al  Al34  1  0.501386  0.200175  0.303885  1
  Al  Al35  1  0.250182  0.837384  0.304754  1
  Al  Al36  1  0.250182  0.365873  0.287013  1
  Al  Al37  1  0.999565  0.562222  0.371326  1
  Al  Al38  1  0.998977  0.200175  0.303885  1
  Al  Al39  1  0.750182  0.390055  0.383404  1
  Al  Al40  1  0.750182  0.927061  0.361587  1
  Al  Al41  1  0.499939  0.354262  0.484048  1
  Al  Al42  1  0.501224  0.991937  0.408511  1
  Al  Al43  1  0.250182  0.626217  0.417647  1
  Al  Al44  1  0.250182  0.166230  0.397389  1
  Al  Al45  1  0.000425  0.354262  0.484048  1
  Al  Al46  1  0.999139  0.991937  0.408511  1
  Al  Al47  1  0.750182  0.180588  0.495693  1
  Al  Al48  1  0.750182  0.719865  0.473855  1
  Al  Al49  1  0.499139  0.148201  0.595232  1
  Al  Al50  1  0.500425  0.785876  0.519695  1
  Al  Al51  1  0.250182  0.420272  0.529888  1
  Al  Al52  1  0.250182  0.959549  0.508050  1
  Al  Al53  1  0.001224  0.148201  0.595232  1
  Al  Al54  1  0.999939  0.785876  0.519695  1
  Al  Al55  1  0.750182  0.973908  0.606354  1
  Al  Al56  1  0.750182  0.513920  0.586096  1
  Al  Al57  1  0.498977  0.939963  0.699858  1
  Al  Al58  1  0.499565  0.577916  0.632417  1
  Al  Al59  1  0.250182  0.213076  0.642156  1
  Al  Al60  1  0.250182  0.750083  0.620339  1
  Al  Al61  1  0.001386  0.939963  0.699858  1
  Al  Al62  1  0.000798  0.577916  0.632417  1
  Al  Al63  1  0.750182  0.774264  0.716730  1
  Al  Al64  1  0.750182  0.302753  0.698989  1
