data_[Sn1Pd1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [5.7237]
_cell_length_b [6.6141]
_cell_length_c [7.5924]
_cell_angle_alpha [112.7894]
_cell_angle_beta [111.5482]
_cell_angle_gamma [93.4610]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnPdCl6]
_chemical_formula_sum '[Sn1 Pd1 Cl6]'
_cell_volume [239.4903]
_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
[
  Sn  Sn0  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd1  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl2  2  0.1400  0.6271  0.8514  1.0
  Cl  Cl3  2  0.2195  0.1444  0.8158  1.0
  Cl  Cl4  2  0.3602  0.1779  0.3315  1.0
]