data_[K4Cu4Ni4Cl20]
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/c]
_cell_length_a [8.1647]
_cell_length_b [11.3388]
_cell_length_c [8.8593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCuNiCl5]
_chemical_formula_sum '[K4 Cu4 Ni4 Cl20]'
_cell_volume [763.8224]
_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
[
  K  K0  4  0.0000  0.3412  0.7500  1.0
  Cu  Cu1  4  0.0000  0.3110  0.2500  1.0
  Ni  Ni2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0934  0.1916  0.0889  1.0
  Cl  Cl4  8  0.1975  0.4342  0.4312  1.0
  Cl  Cl5  4  0.0000  0.0638  0.7500  1.0
]