data_[V16O8F40]
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 [Cc]
_cell_length_a [6.9171]
_cell_length_b [6.9177]
_cell_length_c [17.6289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [V2OF5]
_chemical_formula_sum '[V16 O8 F40]'
_cell_volume [843.5425]
_cell_formula_units_Z [8]
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  0.0006  0.0139  0.6639  1
  V  V1  4  0.0008  0.4910  0.5946  1
  V  V2  4  0.0091  0.0001  0.3447  1
  V  V3  4  0.4864  0.0005  0.4139  1
  O  O4  4  0.0016  0.2966  0.6533  1
  O  O5  4  0.2034  0.0000  0.9033  1
  F  F6  4  0.0006  0.3225  0.5016  1
  F  F7  4  0.0015  0.2809  0.1573  1
  F  F8  4  0.1778  0.0006  0.7516  1
  F  F9  4  0.2157  0.0019  0.5899  1
  F  F10  4  0.2813  0.4998  0.9073  1
  F  F11  4  0.2869  0.4979  0.0897  1
  F  F12  4  0.3284  0.4992  0.2533  1
  F  F13  4  0.4977  0.2143  0.3399  1
  F  F14  4  0.4982  0.2142  0.8398  1
  F  F15  4  0.4991  0.1721  0.5034  1
]