data_VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.4
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   119.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VOF3
_chemical_formula_sum   'V2 O2 F6'
_cell_volume   145.47
_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  1  0.72  0.28  0.44  1.0
  V  V1  1  0.08  0.98  0.44  1.0
  O  O2  1  0.19  0.19  0.74  1.0
  O  O3  1  0.61  0.89  0.14  1.0
  F  F4  1  0.25  0.84  0.95  1.0
  F  F5  1  0.84  0.51  0.47  1.0
  F  F6  1  0.56  0.14  0.93  1.0
  F  F7  1  0.67  0.98  0.5  1.0
  F  F8  1  0.13  0.28  0.38  1.0
  F  F9  1  0.96  0.21  0.41  1.0

data_VOF3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.4
_cell_length_b   5.52
_cell_length_c   5.58
_cell_angle_alpha   119.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VOF3
_chemical_formula_sum   'V2 O2 F6'
_cell_volume   145.47
_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  1  0.02  0.92  0.56  1.0
  V  V1  1  0.72  0.28  0.56  1.0
  O  O2  1  0.11  0.39  0.86  1.0
  O  O3  1  0.81  0.81  0.26  1.0
  F  F4  1  0.02  0.33  0.5  1.0
  F  F5  1  0.16  0.75  0.05  1.0
  F  F6  1  0.49  0.16  0.53  1.0
  F  F7  1  0.72  0.87  0.62  1.0
  F  F8  1  0.79  0.04  0.59  1.0
  F  F9  1  0.86  0.44  0.07  1.0

V V O O F F F F F F