data_[K1Ni1H1F6]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0461]
_cell_length_b [5.3686]
_cell_length_c [5.4442]
_cell_angle_alpha [79.0573]
_cell_angle_beta [83.5499]
_cell_angle_gamma [61.9704]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KNiHF6]
_chemical_formula_sum '[K1 Ni1 H1 F6]'
_cell_volume [127.7732]
_cell_formula_units_Z [1]
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  1  0.0831  0.0406  0.9698  1.0
  Ni  Ni1  1  0.6195  0.6805  0.5029  1.0
  H  H2  1  0.6081  0.1880  0.4997  1.0
  F  F3  1  0.0063  0.4682  0.5579  1.0
  F  F4  1  0.2255  0.8948  0.4580  1.0
  F  F5  1  0.5390  0.5283  0.8078  1.0
  F  F6  1  0.6135  0.3671  0.3528  1.0
  F  F7  1  0.6159  0.9981  0.6527  1.0
  F  F8  1  0.6891  0.8346  0.1983  1.0
]