data_[P2Ir2S2O2]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.5076]
_cell_length_b [3.5655]
_cell_length_c [4.7940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PIrSO]
_chemical_formula_sum '[P2 Ir2 S2 O2]'
_cell_volume [117.9882]
_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  0.2747  0.0000  0.5657  1
  Ir  Ir1  2  0.3160  0.5000  0.3040  1
  S  S2  2  0.4646  0.0000  0.0504  1
  O  O3  2  0.0896  0.0000  0.6365  1
]