data_[Na4Cu2Ni2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  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 [6.4990]
_cell_length_b [6.7492]
_cell_length_c [11.1494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2CuNiCl6]
_chemical_formula_sum '[Na4 Cu2 Ni2 Cl12]'
_cell_volume [403.7607]
_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  0.2224  0.0749  0.2455  1.0
  Cu  Cu1  2  0.5000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1439  0.2100  0.9521  1.0
  Cl  Cl4  4  0.2391  0.6917  0.9485  1.0
  Cl  Cl5  4  0.3521  0.0203  0.7524  1.0
]