data_[V12O16F8]
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 [Cm]
_cell_length_a [9.1988]
_cell_length_b [6.4135]
_cell_length_c [7.5497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V3(O2F)2]
_chemical_formula_sum '[V12 O16 F8]'
_cell_volume [404.9096]
_cell_formula_units_Z [4]
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  0.0020  0.0000  0.4961  1.0
  V  V1  2  0.0050  0.0000  0.9963  1.0
  V  V2  2  0.1553  0.5000  0.1921  1.0
  V  V3  2  0.1663  0.5000  0.6632  1.0
  V  V4  2  0.3211  0.0000  0.8556  1.0
  V  V5  2  0.3379  0.0000  0.3229  1.0
  O  O6  4  0.0004  0.3069  0.9988  1.0
  O  O7  4  0.1706  0.1963  0.6683  1.0
  O  O8  4  0.3306  0.3044  0.3286  1.0
  O  O9  2  0.0687  0.5000  0.3669  1.0
  O  O10  2  0.2322  0.0000  0.0288  1.0
  F  F11  2  0.1036  0.0000  0.2946  1.0
  F  F12  2  0.2707  0.5000  0.9636  1.0
  F  F13  2  0.4006  0.5000  0.6998  1.0
  F  F14  2  0.4335  0.0000  0.6287  1.0
]