data_[K2Ni2F6]
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 [P2_1/m]
_cell_length_a [4.0110]
_cell_length_b [6.1667]
_cell_length_c [5.7980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNiF3]
_chemical_formula_sum '[K2 Ni2 F6]'
_cell_volume [141.9029]
_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  2  0.3937  0.2500  0.0670  1.0
  Ni  Ni1  2  0.0042  0.7500  0.4813  1.0
  F  F2  4  0.0561  0.5132  0.7394  1.0
  F  F3  2  0.4991  0.7500  0.4641  1.0
]