data_LiVSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16
_cell_length_b   10.16
_cell_length_c   10.16
_cell_angle_alpha   18.26
_cell_angle_beta   18.26
_cell_angle_gamma   18.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVSb2
_chemical_formula_sum   'Li1 V1 Sb2'
_cell_volume   89.84
_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  0.4  1.0
  V  V3  1  0.0  0.0  0.95  1.0
  Sb  Sb1  1  0.0  0.0  0.64  1.0
  Sb  Sb2  1  0.0  0.0  0.89  1.0

data_LiVSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   3.22
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   100.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiVSb2
_chemical_formula_sum   'Li2 V2 Sb4'
_cell_volume   179.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.6  1.0
  V  V1  2  0.0  0.0  0.05  1.0
  Sb  Sb2  2  0.0  0.0  0.11  1.0
  Sb  Sb3  2  0.0  0.0  0.36  1.0

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