data_[Ni4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P222_1]
_cell_length_a [6.6372]
_cell_length_b [20.1960]
_cell_length_c [6.5993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [17]
_chemical_formula_structural [NiCl2]
_chemical_formula_sum '[Ni4 Cl8]'
_cell_volume [884.5960]
_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
[
  Ni  Ni0  4  0.4623  0.4147  0.9379  1
  Cl  Cl1  4  0.2673  0.3714  0.6956  1
  Cl  Cl2  2  0.2620  0.5000  0.0000  1
  Cl  Cl3  2  0.5000  0.3753  0.2500  1
]