data_[V12O14F10]
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 [C2]
_cell_length_a [6.7870]
_cell_length_b [6.4936]
_cell_length_c [9.2855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [V6O7F5]
_chemical_formula_sum '[V12 O14 F10]'
_cell_volume [409.2303]
_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  4  0.0086  0.9959  0.3264  1.0
  V  V1  4  0.0275  0.4952  0.8255  1.0
  V  V2  2  0.0000  0.0248  0.0000  1.0
  V  V3  2  0.0000  0.4936  0.5000  1.0
  O  O4  4  0.0059  0.6898  0.6583  1.0
  O  O5  4  0.0067  0.2991  0.6558  1.0
  O  O6  4  0.1860  0.9997  0.1660  1.0
  O  O7  2  0.0000  0.3178  0.0000  1.0
  F  F8  4  0.1972  0.9948  0.5030  1.0
  F  F9  4  0.2075  0.0042  0.8336  1.0
  F  F10  2  0.0000  0.7065  0.0000  1.0
]