data_LiVSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVSb2
_chemical_formula_sum   'Li1 V1 Sb2'
_cell_volume   82.83
_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  0.0  0.0  1.0
  V  V3  1  0.73  0.73  0.73  1.0
  Sb  Sb1  1  0.46  0.46  0.46  1.0
  Sb  Sb2  1  0.19  0.19  0.19  1.0

data_LiVSb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiVSb2
_chemical_formula_sum   'Li3 V3 Sb6'
_cell_volume   248.49
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  V  V1  3  0.0  0.0  0.27  1.0
  Sb  Sb2  3  0.0  0.0  0.54  1.0
  Sb  Sb3  3  0.0  0.0  0.81  1.0

Li V Sb Sb
LiVSb2 crystallizes in the trigonal R3m space group. Li(1) is bonded in a distorted single-bond geometry to four equivalent V(1), one Sb(2), and three equivalent Sb(1) atoms. There are three shorter (2.92 Å) and one longer (3.24 Å) Li(1)-V(1) bond length. The Li(1)-Sb(2) bond length is 2.27 Å. All Li(1)-Sb(1) bond lengths are 3.21 Å. V(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), three equivalent Sb(2), and four equivalent Sb(1) atoms. All V(1)-Sb(2) bond lengths are 3.21 Å. There are three shorter (2.92 Å) and one longer (3.24 Å) V(1)-Sb(1) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), four equivalent V(1), and four equivalent Sb(2) atoms. There are three shorter (2.92 Å) and one longer (3.24 Å) Sb(1)-Sb(2) bond length. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Li(1), three equivalent V(1), and four equivalent Sb(1) atoms.