data_[Cu8Ni4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [11.6536]
_cell_length_b [10.4568]
_cell_length_c [6.4333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2NiCl6]
_chemical_formula_sum '[Cu8 Ni4 Cl24]'
_cell_volume [777.7525]
_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
[
  Cu  Cu0  8  0.1814  0.4101  0.8149  1.0
  Ni  Ni1  4  0.0000  0.0858  0.7500  1.0
  Cl  Cl2  8  0.1104  0.0699  0.1126  1.0
  Cl  Cl3  8  0.1161  0.2377  0.6330  1.0
  Cl  Cl4  8  0.1311  0.4142  0.1346  1.0
]