data_Li2VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.19
_cell_angle_alpha   111.22
_cell_angle_beta   111.22
_cell_angle_gamma   33.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VSb
_chemical_formula_sum   'Li2 V1 Sb1'
_cell_volume   70.06
_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  0.9  0.0  0.39  1.0
  Li  Li1  1  0.22  0.0  0.81  1.0
  V  V3  1  0.08  0.0  0.15  1.0
  Sb  Sb2  1  0.74  0.0  0.86  1.0

data_Li2VSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.17
_cell_length_c   5.19
_cell_angle_alpha   111.22
_cell_angle_beta   90.0
_cell_angle_gamma   106.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VSb
_chemical_formula_sum   'Li2 V1 Sb1'
_cell_volume   70.06
_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  0.0  0.1  0.61  1.0
  Li  Li1  1  0.0  0.78  0.19  1.0
  V  V2  1  0.0  0.92  0.85  1.0
  Sb  Sb3  1  0.0  0.26  0.14  1.0

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