data_LiInSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   4.46
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInSb2
_chemical_formula_sum   'Li1 In1 Sb2'
_cell_volume   104.36
_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  Li1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.94  0.0  0.64  1.0
  Sb  Sb2  1  0.59  0.23  0.49  1.0
  Sb  Sb3  1  0.5  0.23  0.78  1.0

data_LiInSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.46
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInSb2
_chemical_formula_sum   'Li1 In1 Sb2'
_cell_volume   104.36
_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
  In  In1  1  0.94  0.0  0.64  1.0
  Sb  Sb2  1  0.5  0.23  0.78  1.0
  Sb  Sb3  1  0.59  0.23  0.49  1.0

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