data_[P2Ir1Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7459]
_cell_length_b [3.6237]
_cell_length_c [7.2573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [P2IrBr]
_chemical_formula_sum '[P2 Ir1 Br1]'
_cell_volume [98.2945]
_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
[
  P  P0  1  0.2764  0.5000  0.0252  1
  P  P1  1  0.8933  0.0000  0.0528  1
  Ir  Ir2  1  0.7349  0.5000  0.8350  1
  Br  Br3  1  0.5954  0.0000  0.5870  1
]