data_[Ce1Pd1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8845]
_cell_length_b [6.9119]
_cell_length_c [7.5598]
_cell_angle_alpha [63.4530]
_cell_angle_beta [68.9523]
_cell_angle_gamma [86.8799]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CePdCl6]
_chemical_formula_sum '[Ce1 Pd1 Cl6]'
_cell_volume [254.6295]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.5000  0.5000  0.0000  1.0
  Pd  Pd1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0864  0.6519  0.1875  1.0
  Cl  Cl3  2  0.2017  0.1207  0.1538  1.0
  Cl  Cl4  2  0.4727  0.6901  0.6388  1.0
]