data_[K1V1H1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9192]
_cell_length_b [5.4314]
_cell_length_c [5.6374]
_cell_angle_alpha [90.7783]
_cell_angle_beta [113.4934]
_cell_angle_gamma [93.3914]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KVHF6]
_chemical_formula_sum '[K1 V1 H1 F6]'
_cell_volume [137.7791]
_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  0.9629  0.9443  0.0452  1.0
  V  V1  1  0.3262  0.4618  0.6517  1.0
  H  H2  1  0.7671  0.6711  0.4883  1.0
  F  F3  1  0.0853  0.2171  0.6991  1.0
  F  F4  1  0.3124  0.3109  0.3583  1.0
  F  F5  1  0.3380  0.6971  0.8918  1.0
  F  F6  1  0.5914  0.7258  0.5614  1.0
  F  F7  1  0.6629  0.3395  0.8853  1.0
  F  F8  1  0.9537  0.6326  0.4187  1.0
]