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 [P2/c]
_cell_length_a [3.3404]
_cell_length_b [19.9276]
_cell_length_c [13.9446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NiCl2]
_chemical_formula_sum '[Ni4 Cl8]'
_cell_volume [928.2022]
_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  2  0.0000  0.4541  0.7500  1
  Ni  Ni1  2  0.5000  0.4591  0.2500  1
  Cl  Cl2  4  0.2558  0.4975  0.8841  1
  Cl  Cl3  2  0.0000  0.3813  0.2500  1
  Cl  Cl4  2  0.5000  0.3764  0.7500  1
]