data_[K4Cu4Ni2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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/m]
_cell_length_a [13.9185]
_cell_length_b [6.6451]
_cell_length_c [6.0833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu2NiCl6]
_chemical_formula_sum '[K4 Cu4 Ni2 Cl12]'
_cell_volume [544.0267]
_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
[
  K  K0  4  0.2151  0.5000  0.2009  1.0
  Cu  Cu1  4  0.0332  0.0000  0.2334  1.0
  Ni  Ni2  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  8  0.0647  0.2689  0.7535  1.0
  Cl  Cl4  4  0.1944  0.0000  0.2670  1.0
]