data_[Cs4Pd4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.2331]
_cell_length_b [7.3195]
_cell_length_c [12.7714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsPdCl3]
_chemical_formula_sum '[Cs4 Pd4 Cl12]'
_cell_volume [710.8155]
_cell_formula_units_Z [4]
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  4  0.3645  0.7002  0.3418  1.0
  Pd  Pd1  4  0.1025  0.1537  0.1276  1.0
  Cl  Cl2  4  0.0060  0.1088  0.6902  1.0
  Cl  Cl3  4  0.1853  0.5872  0.5467  1.0
  Cl  Cl4  4  0.3894  0.1991  0.2996  1.0
]