data_[Cs2Cu2Ni2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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]
_cell_length_a [6.8087]
_cell_length_b [10.2605]
_cell_length_c [7.7654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCuNiCl6]
_chemical_formula_sum '[Cs2 Cu2 Ni2 Cl12]'
_cell_volume [540.2166]
_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
[
  Cs  Cs0  2  0.0000  0.0208  0.0000  1.0
  Cu  Cu1  2  0.0000  0.3285  0.5000  1.0
  Ni  Ni2  2  0.0000  0.6657  0.5000  1.0
  Cl  Cl3  4  0.1139  0.5019  0.6743  1.0
  Cl  Cl4  4  0.1440  0.8090  0.6841  1.0
  Cl  Cl5  4  0.1873  0.1815  0.6589  1.0
]