data_[Cs2Ca2Pt2Cl12]
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
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0130]
_cell_length_b [11.4193]
_cell_length_c [7.8500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCaPtCl6]
_chemical_formula_sum '[Cs2 Ca2 Pt2 Cl12]'
_cell_volume [628.0468]
_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  0.9922  0.5000  1.0
  Ca  Ca1  2  0.0000  0.3200  0.0000  1.0
  Pt  Pt2  2  0.0000  0.6670  0.0000  1.0
  Cl  Cl3  4  0.1400  0.5196  0.1731  1.0
  Cl  Cl4  4  0.1591  0.8097  0.1711  1.0
  Cl  Cl5  4  0.2091  0.1821  0.2138  1.0
]