data_LiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.24
_cell_length_b   4.52
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV
_chemical_formula_sum   'Li2 V2'
_cell_volume   57.02
_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  0.0  0.0  0.16  1.0
  Li  Li1  1  0.12  0.26  0.46  1.0
  V  V2  1  0.0  0.26  0.54  1.0
  V  V3  1  0.12  0.0  0.08  1.0

data_LiV
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.24
_cell_length_b   4.52
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiV
_chemical_formula_sum   'Li2 V2'
_cell_volume   57.02
_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  0.06  0.13  0.15  1.0
  V  V1  2  0.06  0.87  0.77  1.0

Li Li V V