data_[V4O6F6]
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 [P2]
_cell_length_a [5.4168]
_cell_length_b [5.2829]
_cell_length_c [7.3741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [V2(OF)3]
_chemical_formula_sum '[V4 O6 F6]'
_cell_volume [210.8438]
_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  0.0446  0.9835  0.7674  1.0
  V  V1  2  0.4661  0.4735  0.2690  1.0
  O  O2  2  0.2888  0.2210  0.2901  1.0
  O  O3  2  0.2916  0.8011  0.7884  1.0
  O  O4  1  0.0000  0.0651  0.0000  1.0
  O  O5  1  0.5000  0.5867  0.5000  1.0
  F  F6  2  0.2050  0.7158  0.2086  1.0
  F  F7  2  0.2142  0.2968  0.7083  1.0
  F  F8  1  0.0000  0.9273  0.5000  1.0
  F  F9  1  0.5000  0.4376  0.0000  1.0
]