data_[Na8Ni2Cl10]
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 [I4]
_cell_length_a [8.6939]
_cell_length_b [8.6939]
_cell_length_c [5.6687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Na4NiCl5]
_chemical_formula_sum '[Na8 Ni2 Cl10]'
_cell_volume [428.4616]
_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  8  0.0967  0.2960  0.4995  1
  Ni  Ni1  2  0.0000  0.0000  0.9619  1
  Cl  Cl2  8  0.0878  0.2786  0.0012  1
  Cl  Cl3  2  0.0000  0.0000  0.5250  1
]