data_[V4O3F9]
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 [5.4482]
_cell_length_b [5.3402]
_cell_length_c [7.2805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [V4(OF3)3]
_chemical_formula_sum '[V4 O3 F9]'
_cell_volume [211.6366]
_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  0.0000  0.9957  0.7611  1.0
  V  V1  2  0.4997  0.4999  0.2507  1.0
  O  O2  1  0.0000  0.9293  0.0000  1.0
  O  O3  1  0.5000  0.4466  0.5000  1.0
  O  O4  1  0.5000  0.5536  0.0000  1.0
  F  F5  2  0.1902  0.3083  0.2154  1.0
  F  F6  2  0.1916  0.6934  0.7090  1.0
  F  F7  2  0.3094  0.8084  0.2891  1.0
  F  F8  2  0.3097  0.1917  0.7828  1.0
  F  F9  1  0.0000  0.0758  0.5000  1.0
]