data_Li2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   129.35
_cell_angle_beta   128.15
_cell_angle_gamma   75.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BiSb
_chemical_formula_sum   'Li2 Bi1 Sb1'
_cell_volume   91.16
_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  0.29  0.0  0.1  1.0
  Li  Li2  1  0.0  0.34  0.14  1.0
  Bi  Bi0  1  0.0  0.0  0.24  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Li2BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.69
_cell_length_c   5.36
_cell_angle_alpha   115.93
_cell_angle_beta   115.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BiSb
_chemical_formula_sum   'Li2 Bi1 Sb1'
_cell_volume   91.16
_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  0.8  1.0
  Li  Li1  1  0.66  0.8  0.8  1.0
  Bi  Bi2  1  0.0  0.24  0.24  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Li Li Bi Sb
Li Li Bi Sb 0 3 o o o 1 3 o o o 2 3 o o o 