data_[Ni1Pd3Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5955]
_cell_length_b [7.0437]
_cell_length_c [20.6119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NiPd3Cl8]
_chemical_formula_sum '[Ni1 Pd3 Cl8]'
_cell_volume [957.5633]
_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
[
  Ni  Ni0  1  0.8965  0.5000  0.5654  1
  Pd  Pd1  2  0.4580  0.1888  0.4829  1
  Pd  Pd2  1  0.1012  0.0000  0.4540  1
  Cl  Cl3  2  0.0750  0.2429  0.5402  1
  Cl  Cl4  2  0.2587  0.2493  0.3907  1
  Cl  Cl5  1  0.5713  0.0000  0.5703  1
  Cl  Cl6  1  0.6185  0.5000  0.4997  1
  Cl  Cl7  1  0.7440  0.0000  0.4200  1
  Cl  Cl8  1  0.8065  0.5000  0.6630  1
]