data_[K1V1Fe2F8]
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
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9676]
_cell_length_b [6.9335]
_cell_length_c [4.9745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KVFe2F8]
_chemical_formula_sum '[K1 V1 Fe2 F8]'
_cell_volume [171.1625]
_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  0.5000  0.0000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  2  0.5000  0.2526  0.5000  1.0
  F  F3  4  0.2240  0.1979  0.1954  1.0
  F  F4  2  0.2674  0.0000  0.7085  1.0
  F  F5  2  0.2983  0.5000  0.6267  1.0
]