data_[V3O5F1]
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 [4.9987]
_cell_length_b [5.1301]
_cell_length_c [5.4471]
_cell_angle_alpha [92.9637]
_cell_angle_beta [114.5675]
_cell_angle_gamma [118.7165]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V3O5F]
_chemical_formula_sum '[V3 O5 F1]'
_cell_volume [105.7320]
_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  0.3239  0.6527  0.9437  1.0
  V  V1  1  0.6571  0.3101  0.0225  1.0
  V  V2  1  0.7267  0.8664  0.5547  1.0
  O  O3  1  0.1922  0.9309  0.7824  1.0
  O  O4  1  0.5116  0.5823  0.7582  1.0
  O  O5  1  0.5484  0.4876  0.2337  1.0
  O  O6  1  0.7332  0.0479  0.2366  1.0
  O  O7  1  0.8527  0.2656  0.7978  1.0
  F  F8  1  0.1787  0.7027  0.2584  1.0
]