# generated using pymatgen
data_Pa12Al9Re13Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43049636
_cell_length_b   9.43049579
_cell_length_c   8.54215261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa12Al9Re13Ir2
_chemical_formula_sum   'Pa12 Al9 Re13 Ir2'
_cell_volume   657.91088487
_cell_formula_units_Z   1
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
  Pa  Pa0  1  0.33194177  0.99616649  0.06641831  1.0
  Pa  Pa1  1  0.66422372  0.99616649  0.93358169  1.0
  Pa  Pa2  1  0.00383351  0.33577628  0.06641831  1.0
  Pa  Pa3  1  0.66626384  0.99957653  0.56638531  1.0
  Pa  Pa4  1  0.00042347  0.33373616  0.43361469  1.0
  Pa  Pa5  1  0.00383351  0.66805823  0.93358169  1.0
  Pa  Pa6  1  0.33331269  0.99957653  0.43361469  1.0
  Pa  Pa7  1  0.00042347  0.66668731  0.56638531  1.0
  Pa  Pa8  1  0.66422372  0.66805823  0.06641831  1.0
  Pa  Pa9  1  0.33194177  0.33577628  0.93358169  1.0
  Pa  Pa10  1  0.33331269  0.33373616  0.56638531  1.0
  Pa  Pa11  1  0.66626384  0.66668731  0.43361469  1.0
  Al  Al12  1  0.66666700  0.33333300  0.50000000  1.0
  Al  Al13  1  0.66666700  0.33333300  0.00000000  1.0
  Al  Al14  1  0.33333300  0.66666700  0.00000000  1.0
  Al  Al15  1  0.16636613  0.00271937  0.75023776  1.0
  Al  Al16  1  0.83635225  0.00271937  0.24976224  1.0
  Al  Al17  1  0.99728063  0.16364775  0.75023776  1.0
  Al  Al18  1  0.99728063  0.83363387  0.24976224  1.0
  Al  Al19  1  0.83635225  0.83363387  0.75023776  1.0
  Al  Al20  1  0.16636613  0.16364775  0.24976224  1.0
  Re  Re21  1  0.16635739  0.48868382  0.75302422  1.0
  Re  Re22  1  0.85084981  0.50495353  0.25119291  1.0
  Re  Re23  1  0.51131618  0.67767357  0.75302422  1.0
  Re  Re24  1  0.49504647  0.14915019  0.74880709  1.0
  Re  Re25  1  0.49504647  0.34589527  0.25119291  1.0
  Re  Re26  1  0.51131618  0.83364261  0.24697578  1.0
  Re  Re27  1  0.32232643  0.83364261  0.75302422  1.0
  Re  Re28  1  0.65410473  0.50495353  0.74880709  1.0
  Re  Re29  1  0.65410473  0.14915019  0.25119291  1.0
  Re  Re30  1  0.32232643  0.48868382  0.24697578  1.0
  Re  Re31  1  0.85084981  0.34589527  0.74880709  1.0
  Re  Re32  1  0.16635739  0.67767357  0.24697578  1.0
  Re  Re33  1  0.33333300  0.66666700  0.50000000  1.0
  Ir  Ir34  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir35  1  0.00000000  0.00000000  0.00000000  1.0