data_[V4O5F7]
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 [5.4167]
_cell_length_b [5.2408]
_cell_length_c [7.4728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [V4O5F7]
_chemical_formula_sum '[V4 O5 F7]'
_cell_volume [211.9362]
_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  2  0.0392  0.9710  0.2405  1.0
  V  V1  2  0.4695  0.4697  0.7553  1.0
  O  O2  2  0.2839  0.2246  0.7882  1.0
  O  O3  2  0.2953  0.8019  0.2829  1.0
  O  O4  1  0.0000  0.9313  0.0000  1.0
  F  F5  2  0.2032  0.7188  0.7019  1.0
  F  F6  2  0.2081  0.2995  0.2084  1.0
  F  F7  1  0.0000  0.0738  0.5000  1.0
  F  F8  1  0.5000  0.4230  0.5000  1.0
  F  F9  1  0.5000  0.6007  0.0000  1.0
]