data_[K4Ni4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [12.5350]
_cell_length_b [5.8259]
_cell_length_c [9.3411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNiCl4]
_chemical_formula_sum '[K4 Ni4 Cl16]'
_cell_volume [662.9577]
_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  0.2240  0.2500  1.0
  Ni  Ni1  4  0.2500  0.2500  0.0000  1.0
  Cl  Cl2  8  0.0728  0.2781  0.9355  1.0
  Cl  Cl3  8  0.2353  0.0417  0.6342  1.0
]