data_[K4V4F12]
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 [C2/c]
_cell_length_a [10.2698]
_cell_length_b [5.9873]
_cell_length_c [5.9448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KVF3]
_chemical_formula_sum '[K4 V4 F12]'
_cell_volume [299.4529]
_cell_formula_units_Z [4]
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  4  0.0000  0.2510  0.7500  1.0
  V  V1  4  0.2500  0.2500  0.5000  1.0
  F  F2  8  0.2257  0.4883  0.2146  1.0
  F  F3  4  0.0000  0.2074  0.2500  1.0
]