data_[Pd4Cl12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.8520]
_cell_length_b [6.1125]
_cell_length_c [9.4219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PdCl3O]
_chemical_formula_sum '[Pd4 Cl12 O4]'
_cell_volume [536.2610]
_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
[
  Pd  Pd0  4  0.0578  0.7364  0.1036  1
  Cl  Cl1  4  0.0554  0.5665  0.3563  1
  Cl  Cl2  4  0.1665  0.0755  0.5386  1
  Cl  Cl3  4  0.2818  0.6281  0.7280  1
  O  O4  4  0.4818  0.0812  0.9603  1
]