data_[V4O8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [5.1573]
_cell_length_b [5.1636]
_cell_length_c [9.0020]
_cell_angle_alpha [76.0500]
_cell_angle_beta [75.5891]
_cell_angle_gamma [62.1663]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VO2F]
_chemical_formula_sum '[V4 O8 F4]'
_cell_volume [203.1255]
_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
[
  V  V0  2  0.2061  0.3099  0.2502  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  V  V2  1  0.5000  0.5000  0.5000  1.0
  O  O3  2  0.0759  0.1638  0.1264  1.0
  O  O4  2  0.1253  0.5539  0.6266  1.0
  O  O5  2  0.1850  0.6212  0.1218  1.0
  O  O6  2  0.4393  0.3158  0.3762  1.0
  F  F7  2  0.3080  0.8691  0.3763  1.0
  F  F8  2  0.3731  0.9456  0.8729  1.0
]