data_[Ba4Pd8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7673]
_cell_length_b [8.1857]
_cell_length_c [7.6843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba(PdCl3)2]
_chemical_formula_sum '[Ba4 Pd8 Cl24]'
_cell_volume [991.7034]
_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
[
  Ba  Ba0  4  0.0000  0.2522  0.2500  1.0
  Pd  Pd1  8  0.2477  0.0002  0.5105  1.0
  Cl  Cl2  8  0.1004  0.0135  0.5175  1.0
  Cl  Cl3  8  0.1038  0.4887  0.9911  1.0
  Cl  Cl4  8  0.2467  0.1647  0.2597  1.0
]