data_[Pd4Cl16]
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 [Cc]
_cell_length_a [18.4399]
_cell_length_b [31.9389]
_cell_length_c [6.4593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [PdCl4]
_chemical_formula_sum '[Pd4 Cl16]'
_cell_volume [3804.2113]
_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  0.4581  0.4712  0.5851  1
  Cl  Cl1  4  0.0240  0.0727  0.8866  1
  Cl  Cl2  4  0.0312  0.0402  0.3813  1
  Cl  Cl3  4  0.0982  0.0919  0.3552  1
  Cl  Cl4  4  0.3842  0.4867  0.3060  1
]