data_[P2Ir2Br4]
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 [Cm]
_cell_length_a [6.2660]
_cell_length_b [3.6185]
_cell_length_c [8.6545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PIrBr2]
_chemical_formula_sum '[P2 Ir2 Br4]'
_cell_volume [196.0767]
_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
[
  P  P0  2  0.3775  0.5000  0.6682  1.0
  Ir  Ir1  2  0.0378  0.5000  0.5532  1.0
  Br  Br2  2  0.1935  0.0000  0.3543  1.0
  Br  Br3  2  0.3912  0.5000  0.9243  1.0
]