data_[Na4Ni4Cl4]
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 [C2/m]
_cell_length_a [10.5382]
_cell_length_b [3.3438]
_cell_length_c [8.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaNiCl]
_chemical_formula_sum '[Na4 Ni4 Cl4]'
_cell_volume [239.6191]
_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
[
  Na  Na0  4  0.0390  0.0000  0.7650  1
  Ni  Ni1  4  0.2429  0.5000  0.3928  1
  Cl  Cl2  4  0.2246  0.0000  0.1876  1
]