data_[V12O16F8]
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 [C2/m]
_cell_length_a [9.1274]
_cell_length_b [6.4177]
_cell_length_c [7.4535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3(O2F)2]
_chemical_formula_sum '[V12 O16 F8]'
_cell_volume [400.6676]
_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  4  0.1674  0.5000  0.1706  1.0
  V  V1  4  0.1821  0.5000  0.6610  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  V  V3  2  0.0000  0.0000  0.5000  1.0
  O  O4  8  0.1672  0.1960  0.6648  1.0
  O  O5  4  0.0000  0.2953  0.0000  1.0
  O  O6  4  0.0944  0.0000  0.2951  1.0
  F  F7  4  0.0586  0.5000  0.3644  1.0
  F  F8  4  0.2305  0.0000  0.0347  1.0
]