data_Li3V2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.08
_cell_length_c   5.2
_cell_angle_alpha   100.55
_cell_angle_beta   102.46
_cell_angle_gamma   117.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3V2O6
_chemical_formula_sum   'Li3 V2 O6'
_cell_volume   107.73
_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
  Li  Li0  1  0.85  0.24  0.01  1.0
  Li  Li1  1  0.17  0.24  0.74  1.0
  Li  Li2  1  0.35  0.54  0.12  1.0
  V  V3  1  0.0  0.21  0.27  1.0
  V  V4  1  0.5  0.59  0.51  1.0
  O  O5  1  0.05  0.9  0.23  1.0
  O  O6  1  0.54  0.9  0.53  1.0
  O  O7  1  0.8  0.21  0.48  1.0
  O  O8  1  0.51  0.99  0.3  1.0
  O  O9  1  1.0  0.84  0.48  1.0
  O  O10  1  0.76  0.73  0.31  1.0

data_Li3V2O6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   5.08
_cell_length_c   5.2
_cell_angle_alpha   100.55
_cell_angle_beta   102.46
_cell_angle_gamma   117.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3V2O6
_chemical_formula_sum   'Li3 V2 O6'
_cell_volume   107.73
_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
  Li  Li0  1  0.17  0.24  0.74  1.0
  Li  Li1  1  0.35  0.54  0.12  1.0
  Li  Li2  1  0.85  0.24  0.01  1.0
  V  V3  1  0.0  0.21  0.27  1.0
  V  V4  1  0.5  0.59  0.51  1.0
  O  O5  1  0.05  0.9  0.23  1.0
  O  O6  1  0.51  0.99  0.3  1.0
  O  O7  1  0.54  0.9  0.53  1.0
  O  O8  1  0.76  0.73  0.31  1.0
  O  O9  1  0.8  0.21  0.48  1.0
  O  O10  1  1.0  0.84  0.48  1.0

Li Li Li V V O O O O O O