data_[P1Ir1Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5412]
_cell_length_b [3.5412]
_cell_length_c [8.3079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PIrCl2]
_chemical_formula_sum '[P1 Ir1 Cl2]'
_cell_volume [90.2223]
_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  0.3333  0.6667  0.3266  1.0
  Ir  Ir1  1  0.0000  0.0000  0.4487  1.0
  Cl  Cl2  1  0.3333  0.6667  0.0818  1.0
  Cl  Cl3  1  0.6667  0.3333  0.6428  1.0
]