data_LiV2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.32
_cell_angle_alpha   115.04
_cell_angle_beta   115.04
_cell_angle_gamma   42.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Sb
_chemical_formula_sum   'Li1 V2 Sb1'
_cell_volume   61.43
_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  0.61  0.0  0.91  1.0
  V  V2  1  0.0  0.0  0.76  1.0
  V  V3  1  0.85  0.0  0.95  1.0
  Sb  Sb1  1  0.33  0.0  1.0  1.0

data_LiV2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.32
_cell_length_c   4.87
_cell_angle_alpha   115.04
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Sb
_chemical_formula_sum   'Li1 V2 Sb1'
_cell_volume   61.43
_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  0.91  0.61  1.0
  V  V1  1  0.0  0.76  0.0  1.0
  V  V2  1  0.0  0.95  0.85  1.0
  Sb  Sb3  1  0.0  1.0  0.33  1.0

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