data_[Cs2Ir2Pd2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.7040]
_cell_length_b [11.8821]
_cell_length_c [8.7335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsIrPdI6]
_chemical_formula_sum '[Cs2 Ir2 Pd2 I12]'
_cell_volume [796.6035]
_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
[
  Cs  Cs0  2  0.0000  0.9573  0.0000  1.0
  Ir  Ir1  2  0.0000  0.3341  0.5000  1.0
  Pd  Pd2  2  0.0000  0.6715  0.5000  1.0
  I  I3  4  0.1290  0.5058  0.6806  1.0
  I  I4  4  0.1432  0.1878  0.7105  1.0
  I  I5  4  0.2025  0.8275  0.6428  1.0
]