data_[Cs1Ir1Pd1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [6.4754]
_cell_length_b [6.4754]
_cell_length_c [7.8411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CsIrPdCl6]
_chemical_formula_sum '[Cs1 Ir1 Pd1 Cl6]'
_cell_volume [284.7374]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  1  0.3333  0.6667  0.5000  1.0
  Ir  Ir2  1  0.6667  0.3333  0.5000  1.0
  Cl  Cl3  6  0.3742  0.0235  0.6700  1.0
]