data_[Cu2Pd4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [7.7297]
_cell_length_b [12.0318]
_cell_length_c [6.2003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(PdCl3)2]
_chemical_formula_sum '[Cu2 Pd4 Cl12]'
_cell_volume [491.0412]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  4  0.2500  0.2500  0.5000  1.0
  Cl  Cl2  8  0.2496  0.1331  0.2002  1.0
  Cl  Cl3  4  0.0000  0.1425  0.5000  1.0
]