data_[K2V2O4F4]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.8708]
_cell_length_b [3.6700]
_cell_length_c [7.8859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KV(OF)2]
_chemical_formula_sum '[K2 V2 O4 F4]'
_cell_volume [190.3119]
_cell_formula_units_Z [2]
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  0.1171  0.7759  0.7563  1.0
  V  V1  2  0.3716  0.7319  0.3194  1.0
  O  O2  2  0.2130  0.7298  0.1193  1.0
  O  O3  2  0.4136  0.2648  0.3802  1.0
  F  F4  2  0.1586  0.7788  0.4291  1.0
  F  F5  2  0.3870  0.2782  0.7447  1.0
]