data_[K3V1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1681]
_cell_length_b [6.2464]
_cell_length_c [6.3052]
_cell_angle_alpha [89.9765]
_cell_angle_beta [61.1027]
_cell_angle_gamma [60.6235]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3VF6]
_chemical_formula_sum '[K3 V1 F6]'
_cell_volume [176.1920]
_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  2  0.4978  0.2429  0.7726  1.0
  K  K1  1  0.0000  0.5000  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0334  0.7084  0.1347  1.0
  F  F4  2  0.0730  0.8175  0.6909  1.0
  F  F5  2  0.4393  0.8372  0.8265  1.0
]