data_[V2O1F5]
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 [P1]
_cell_length_a [5.2299]
_cell_length_b [5.2645]
_cell_length_c [5.4129]
_cell_angle_alpha [90.9564]
_cell_angle_beta [118.4093]
_cell_angle_gamma [119.2444]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V2OF5]
_chemical_formula_sum '[V2 O1 F5]'
_cell_volume [108.1838]
_cell_formula_units_Z [1]
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  1  0.6851  0.8453  0.5277  1.0
  V  V1  1  0.6919  0.3313  0.0059  1.0
  O  O2  1  0.7521  0.1753  0.7814  1.0
  F  F3  1  0.1805  0.6903  0.2682  1.0
  F  F4  1  0.1849  0.9979  0.7945  1.0
  F  F5  1  0.5777  0.5854  0.7713  1.0
  F  F6  1  0.6008  0.5044  0.2667  1.0
  F  F7  1  0.7930  0.1084  0.2891  1.0
]