# generated using pymatgen
data_SmAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80295506
_cell_length_b   11.47411033
_cell_length_c   53.51960005
_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   3563.53548547
_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  0.246086  0.507227  0.311883  1
  Sm  Sm2  1  0.246086  0.170532  0.290973  1
  Sm  Sm3  1  0.246086  0.994779  0.351649  1
  Sm  Sm4  1  0.246086  0.671471  0.378039  1
  Sm  Sm5  1  0.746086  0.344617  0.290973  1
  Sm  Sm6  1  0.746086  0.007922  0.311883  1
  Sm  Sm7  1  0.746086  0.843678  0.378039  1
  Sm  Sm8  1  0.746086  0.520370  0.351649  1
  Sm  Sm9  1  0.246086  0.491149  0.425771  1
  Sm  Sm10  1  0.246086  0.174434  0.400954  1
  Sm  Sm11  1  0.246086  0.994738  0.463457  1
  Sm  Sm12  1  0.246086  0.673574  0.487412  1
  Sm  Sm13  1  0.746086  0.340715  0.400954  1
  Sm  Sm14  1  0.746086  0.024000  0.425771  1
  Sm  Sm15  1  0.746086  0.841575  0.487412  1
  Sm  Sm16  1  0.746086  0.520411  0.463457  1
  Sm  Sm17  1  0.246086  0.494738  0.537208  1
  Sm  Sm18  1  0.246086  0.173574  0.513253  1
  Sm  Sm19  1  0.246086  0.991149  0.574895  1
  Sm  Sm20  1  0.246086  0.674434  0.599712  1
  Sm  Sm21  1  0.746086  0.341575  0.513253  1
  Sm  Sm22  1  0.746086  0.020411  0.537208  1
  Sm  Sm23  1  0.746086  0.840715  0.599712  1
  Sm  Sm24  1  0.746086  0.524000  0.574895  1
  Sm  Sm25  1  0.246086  0.494779  0.649017  1
  Sm  Sm26  1  0.246086  0.171471  0.622627  1
  Sm  Sm27  1  0.246086  1.007227  0.688783  1
  Sm  Sm28  1  0.246086  0.670532  0.709693  1
  Sm  Sm29  1  0.746086  0.343678  0.622627  1
  Sm  Sm30  1  0.746086  0.020370  0.649017  1
  Sm  Sm31  1  0.746086  0.844617  0.709693  1
  Sm  Sm32  1  0.746086  0.507922  0.688783  1
  Al  Al33  1  0.496086  0.257575  0.341889  1
  Al  Al34  1  0.496086  0.757575  0.328809  1
  Al  Al35  1  0.246086  0.409399  0.370250  1
  Al  Al36  1  0.246086  0.893244  0.296415  1
  Al  Al37  1  0.996086  0.257575  0.341889  1
  Al  Al38  1  0.996086  0.757575  0.328809  1
  Al  Al39  1  0.746086  0.105750  0.370250  1
  Al  Al40  1  0.746086  0.621905  0.296415  1
  Al  Al41  1  0.496086  0.257575  0.453826  1
  Al  Al42  1  0.496086  0.757575  0.435427  1
  Al  Al43  1  0.246086  0.407380  0.482955  1
  Al  Al44  1  0.246086  0.909970  0.406605  1
  Al  Al45  1  0.996086  0.257575  0.453826  1
  Al  Al46  1  0.996086  0.757575  0.435427  1
  Al  Al47  1  0.746086  0.107769  0.482955  1
  Al  Al48  1  0.746086  0.605179  0.406605  1
  Al  Al49  1  0.496086  0.257575  0.565239  1
  Al  Al50  1  0.496086  0.757575  0.546839  1
  Al  Al51  1  0.246086  0.409970  0.594061  1
  Al  Al52  1  0.246086  0.907380  0.517711  1
  Al  Al53  1  0.996086  0.257575  0.565239  1
  Al  Al54  1  0.996086  0.757575  0.546839  1
  Al  Al55  1  0.746086  0.105179  0.594061  1
  Al  Al56  1  0.746086  0.607769  0.517711  1
  Al  Al57  1  0.496086  0.257575  0.671857  1
  Al  Al58  1  0.496086  0.757575  0.658776  1
  Al  Al59  1  0.246086  0.393244  0.704251  1
  Al  Al60  1  0.246086  0.909399  0.630415  1
  Al  Al61  1  0.996086  0.257575  0.671857  1
  Al  Al62  1  0.996086  0.757575  0.658776  1
  Al  Al63  1  0.746086  0.121905  0.704251  1
  Al  Al64  1  0.746086  0.605750  0.630415  1
