data_[Na4Ni2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6043]
_cell_length_b [6.8723]
_cell_length_c [11.2600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2NiCl6]
_chemical_formula_sum '[Na4 Ni2 Cl12]'
_cell_volume [418.7171]
_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
[
  Na  Na0  4  0.2210  0.0851  0.7414  1.0
  Ni  Ni1  2  0.5000  0.0000  0.5000  1.0
  Cl  Cl2  4  0.1746  0.1809  0.4500  1.0
  Cl  Cl3  4  0.2809  0.7254  0.4563  1.0
  Cl  Cl4  4  0.3613  0.0139  0.2647  1.0
]