data_[K4Ni4F16]
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 [7.6582]
_cell_length_b [10.9591]
_cell_length_c [5.2248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNiF4]
_chemical_formula_sum '[K4 Ni4 F16]'
_cell_volume [374.2061]
_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  0.3400  0.2500  1.0
  Ni  Ni1  4  0.0000  0.0697  0.7500  1.0
  F  F2  8  0.1545  0.1867  0.7223  1.0
  F  F3  8  0.1647  0.0484  0.2179  1.0
]