data_Li2VBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.5
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   95.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VBr
_chemical_formula_sum   'Li2 V1 Br1'
_cell_volume   75.4
_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  Li1  1  0.14  0.75  0.55  1.0
  Li  Li2  1  0.83  0.75  0.52  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.71  0.0  0.04  1.0

data_Li2VBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.55
_cell_length_c   6.1
_cell_angle_alpha   95.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VBr
_chemical_formula_sum   'Li2 V1 Br1'
_cell_volume   75.4
_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  0.25  0.17  0.48  1.0
  Li  Li1  1  0.25  0.86  0.45  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.29  0.96  1.0

Li Li V Br