data_Li2VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   2.95
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VO2F
_chemical_formula_sum   'Li4 V2 O4 F2'
_cell_volume   111.38
_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
  Li  Li0  1  0.72  0.21  0.48  1.0
  Li  Li1  1  0.43  0.74  0.83  1.0
  Li  Li2  1  0.35  0.21  0.23  1.0
  Li  Li3  1  0.8  0.74  0.08  1.0
  V  V4  1  0.2  0.74  0.42  1.0
  V  V5  1  0.95  0.21  0.89  1.0
  O  O6  1  0.34  0.21  0.57  1.0
  O  O7  1  0.8  0.74  0.74  1.0
  O  O8  1  0.19  0.74  0.01  1.0
  O  O9  1  0.96  0.21  0.31  1.0
  F  F10  1  0.45  0.74  0.21  1.0
  F  F11  1  0.7  0.21  0.1  1.0

data_Li2VO2F
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.95
_cell_length_b   5.17
_cell_length_c   7.31
_cell_angle_alpha   90.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2VO2F
_chemical_formula_sum   'Li4 V2 O4 F2'
_cell_volume   111.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Li  Li0  2  0.24  0.14  0.82  1.0
  Li  Li1  2  0.24  0.78  0.57  1.0
  V  V2  2  0.24  0.37  0.23  1.0
  O  O3  2  0.24  0.77  0.92  1.0
  O  O4  2  0.24  0.39  0.65  1.0
  F  F5  2  0.24  0.13  0.45  1.0

Li Li Li Li V V O O O O F F