data_[K1V1Sn1F6]
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
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0415]
_cell_length_b [5.8413]
_cell_length_c [5.8918]
_cell_angle_alpha [60.9325]
_cell_angle_beta [89.2526]
_cell_angle_gamma [89.6166]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KVSnF6]
_chemical_formula_sum '[K1 V1 Sn1 F6]'
_cell_volume [151.6417]
_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  0.9285  0.0033  0.0008  1.0
  V  V1  1  0.5223  0.6678  0.6654  1.0
  Sn  Sn2  1  0.4261  0.3489  0.3276  1.0
  F  F3  1  0.3052  0.8874  0.7509  1.0
  F  F4  1  0.3146  0.3609  0.8900  1.0
  F  F5  1  0.3205  0.7388  0.3423  1.0
  F  F6  1  0.7236  0.5636  0.0112  1.0
  F  F7  1  0.7280  0.9900  0.4451  1.0
  F  F8  1  0.7313  0.4395  0.5666  1.0
]