data_[Sb4Ir2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.1928]
_cell_length_b [5.1409]
_cell_length_c [7.2083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sb2IrCl]
_chemical_formula_sum '[Sb4 Ir2 Cl2]'
_cell_volume [192.4323]
_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
[
  Sb  Sb0  2  0.0000  0.0000  0.9342  1
  Sb  Sb1  2  0.5000  0.0000  0.2215  1
  Ir  Ir2  2  0.5000  0.0000  0.8497  1
  Cl  Cl3  2  0.0000  0.0000  0.4941  1
]