data_[Ir2Pt4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9443]
_cell_length_b [2.8220]
_cell_length_c [6.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [IrPt2Cl]
_chemical_formula_sum '[Ir2 Pt4 Cl2]'
_cell_volume [163.3921]
_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
[
  Ir  Ir0  2  0.2938  0.5000  0.1646  1
  Pt  Pt1  2  0.0502  0.0000  0.0283  1
  Pt  Pt2  2  0.3008  0.0000  0.8259  1
  Cl  Cl3  2  0.3552  0.0000  0.4812  1
]