data_[Pd4Cl12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4670]
_cell_length_b [10.5478]
_cell_length_c [6.7692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PdCl3]
_chemical_formula_sum '[Pd4 Cl12]'
_cell_volume [431.4961]
_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  0.0000  0.1655  0.5000  1.0
  Cl  Cl1  8  0.2314  0.3190  0.7151  1.0
  Cl  Cl2  4  0.2114  0.0000  0.7165  1.0
]