data_[Cs2Ca2Pd2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9846]
_cell_length_b [11.4428]
_cell_length_c [7.8141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCaPdCl6]
_chemical_formula_sum '[Cs2 Ca2 Pd2 Cl12]'
_cell_volume [624.0763]
_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  0.0066  0.5000  1.0
  Ca  Ca1  2  0.0000  0.6780  0.0000  1.0
  Pd  Pd2  2  0.0000  0.3332  0.0000  1.0
  Cl  Cl3  4  0.1379  0.4810  0.1757  1.0
  Cl  Cl4  4  0.1602  0.1910  0.1732  1.0
  Cl  Cl5  4  0.2109  0.8184  0.2101  1.0
]