data_[Ni2Cl6]
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 [P-1]
_cell_length_a [5.8438]
_cell_length_b [5.8457]
_cell_length_c [6.9114]
_cell_angle_alpha [66.1737]
_cell_angle_beta [89.2356]
_cell_angle_gamma [62.9297]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiCl3]
_chemical_formula_sum '[Ni2 Cl6]'
_cell_volume [188.0588]
_cell_formula_units_Z [2]
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  0.3340  0.3333  0.0003  1.0
  Cl  Cl1  2  0.0801  0.2140  0.2102  1.0
  Cl  Cl2  2  0.2850  0.1515  0.7900  1.0
  Cl  Cl3  2  0.4289  0.5007  0.2084  1.0
]