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 [Cm]
_cell_length_a [9.2505]
_cell_length_b [6.4234]
_cell_length_c [7.6212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V6O7F5]
_chemical_formula_sum '[V12 O14 F10]'
_cell_volume [410.9694]
_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  2  0.0005  0.0000  0.0025  1.0
  V  V1  2  0.0014  0.0000  0.5003  1.0
  V  V2  2  0.1540  0.5000  0.1924  1.0
  V  V3  2  0.1662  0.5000  0.6615  1.0
  V  V4  2  0.3341  0.0000  0.8298  1.0
  V  V5  2  0.3397  0.0000  0.3274  1.0
  O  O6  4  0.0036  0.3033  0.0017  1.0
  O  O7  4  0.1672  0.1997  0.6660  1.0
  O  O8  4  0.3284  0.3043  0.3295  1.0
  O  O9  2  0.0658  0.5000  0.3657  1.0
  F  F10  2  0.1040  0.0000  0.2970  1.0
  F  F11  2  0.2315  0.0000  0.0323  1.0
  F  F12  2  0.2694  0.5000  0.9650  1.0
  F  F13  2  0.4014  0.5000  0.7055  1.0
  F  F14  2  0.4336  0.0000  0.6262  1.0
]