data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   4.24
_cell_length_c   5.59
_cell_angle_alpha   109.52
_cell_angle_beta   105.81
_cell_angle_gamma   90.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VO2F
_chemical_formula_sum   'V1 O2 F1'
_cell_volume   68.24
_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  1  0.57  0.32  0.89  1.0
  O  O1  1  0.57  0.94  0.88  1.0
  O  O2  1  0.49  0.98  0.57  1.0
  F  F3  1  0.55  0.16  0.17  1.0

data_VO2F
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.24
_cell_length_c   5.59
_cell_angle_alpha   109.52
_cell_angle_beta   105.81
_cell_angle_gamma   90.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VO2F
_chemical_formula_sum   'V1 O2 F1'
_cell_volume   68.24
_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  1  0.57  0.32  0.89  1.0
  O  O1  1  0.49  0.98  0.57  1.0
  O  O2  1  0.57  0.94  0.88  1.0
  F  F3  1  0.55  0.16  0.17  1.0

V O O F
V O O F 0 2 o - o 0 3 o o + 0 1 o - o 1 2 o o o 1 3 o + + 