data_[K8Ni8F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0793]
_cell_length_b [10.5888]
_cell_length_c [5.3542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNiF3]
_chemical_formula_sum '[K8 Ni8 F24]'
_cell_volume [627.7269]
_cell_formula_units_Z [8]
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  8  0.1969  0.3995  0.3198  1.0
  Ni  Ni1  4  0.0000  0.0727  0.2500  1.0
  Ni  Ni2  4  0.0000  0.2352  0.7500  1.0
  F  F3  8  0.0954  0.0710  0.9246  1.0
  F  F4  8  0.0970  0.1983  0.4424  1.0
  F  F5  8  0.1190  0.3626  0.8601  1.0
]