# generated using pymatgen
data_Pa2Re3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24858992
_cell_length_b   5.24858951
_cell_length_c   9.33626080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001493
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa2Re3Ir
_chemical_formula_sum   'Pa4 Re6 Ir2'
_cell_volume   222.73516667
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.43303596  1.0
  Pa  Pa1  1  0.66666700  0.33333300  0.56696404  1.0
  Pa  Pa2  1  0.66666700  0.33333300  0.93303596  1.0
  Pa  Pa3  1  0.33333300  0.66666700  0.06696404  1.0
  Re  Re4  1  0.83024254  0.16975746  0.25000000  1.0
  Re  Re5  1  0.83024254  0.66048308  0.25000000  1.0
  Re  Re6  1  0.33951692  0.16975746  0.25000000  1.0
  Re  Re7  1  0.16975746  0.83024254  0.75000000  1.0
  Re  Re8  1  0.16975746  0.33951692  0.75000000  1.0
  Re  Re9  1  0.66048308  0.83024254  0.75000000  1.0
  Ir  Ir10  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir11  1  0.00000000  0.00000000  0.00000000  1.0