# generated using pymatgen
data_PaPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08665790
_cell_length_b   4.08665679
_cell_length_c   7.70322666
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaPIr
_chemical_formula_sum   'Pa2 P2 Ir2'
_cell_volume   111.41400585
_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  0.00000000  0.00000000  0.24972304  1.0
  Pa  Pa1  1  0.00000000  0.00000000  0.74972204  1.0
  P  P2  1  0.33333400  0.66666700  0.49867431  1.0
  P  P3  1  0.66666700  0.33333400  0.99867331  1.0
  Ir  Ir4  1  0.33333400  0.66666700  0.00160165  1.0
  Ir  Ir5  1  0.66666700  0.33333400  0.50160165  1.0