data_[V4O1F11]
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 [5.4812]
_cell_length_b [5.2721]
_cell_length_c [7.4650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [V4OF11]
_chemical_formula_sum '[V4 O1 F11]'
_cell_volume [215.3675]
_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  0.0002  0.4935  0.2624  1.0
  V  V1  2  0.4999  0.9995  0.7506  1.0
  O  O2  1  0.0000  0.4286  0.5000  1.0
  F  F3  2  0.1964  0.8054  0.7027  1.0
  F  F4  2  0.1971  0.1964  0.1984  1.0
  F  F5  2  0.2996  0.3013  0.8022  1.0
  F  F6  2  0.3016  0.6969  0.2986  1.0
  F  F7  1  0.0000  0.5859  0.0000  1.0
  F  F8  1  0.5000  0.1109  0.5000  1.0
  F  F9  1  0.5000  0.8884  0.0000  1.0
]