data_[V6O8F4]
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 [Pc]
_cell_length_a [4.6590]
_cell_length_b [4.6546]
_cell_length_c [10.4164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [V3(O2F)2]
_chemical_formula_sum '[V6 O8 F4]'
_cell_volume [201.8463]
_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
[
  V  V0  2  0.0042  0.2516  0.4978  1.0
  V  V1  2  0.3102  0.2718  0.8410  1.0
  V  V2  2  0.7002  0.2233  0.1565  1.0
  O  O3  2  0.0131  0.4318  0.3283  1.0
  O  O4  2  0.3052  0.0614  0.0036  1.0
  O  O5  2  0.6995  0.4471  0.0057  1.0
  O  O6  2  0.9675  0.0579  0.6671  1.0
  F  F7  2  0.3746  0.4620  0.6721  1.0
  F  F8  2  0.6253  0.0408  0.3278  1.0
]