data_[K1V1Pb1F6]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.8233]
_cell_length_b [5.8233]
_cell_length_c [4.5348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [KVPbF6]
_chemical_formula_sum '[K1 V1 Pb1 F6]'
_cell_volume [133.1781]
_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  0.0000  0.0000  0.1766  1.0
  V  V1  1  0.3333  0.6667  0.4300  1.0
  Pb  Pb2  1  0.6667  0.3333  0.7928  1.0
  F  F3  3  0.0007  0.4520  0.1984  1.0
  F  F4  3  0.1100  0.7630  0.6687  1.0
]