data_Li2VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   3.11
_cell_angle_alpha   102.49
_cell_angle_beta   102.49
_cell_angle_gamma   122.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VSb
_chemical_formula_sum   'Li2 V1 Sb1'
_cell_volume   74.09
_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  0.65  0.48  0.39  1.0
  Li  Li1  1  0.65  0.52  0.39  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.7  0.0  0.0  1.0

data_Li2VSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.86
_cell_length_c   5.64
_cell_angle_alpha   113.15
_cell_angle_beta   102.49
_cell_angle_gamma   97.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VSb
_chemical_formula_sum   'Li2 V1 Sb1'
_cell_volume   74.09
_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  0.86  0.48  0.12  1.0
  Li  Li1  1  0.91  0.52  0.17  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  -0.0  0.0  0.7  1.0

Li Li V Sb
Li Li V Sb 0 1 o o o 2 3 - o o 