data_In2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BiSb
_chemical_formula_sum   'In2 Bi1 Sb1'
_cell_volume   114.69
_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
  In  In1  1  0.05  0.0  1.0  1.0
  In  In2  1  0.05  0.0  0.57  1.0
  Bi  Bi0  1  0.0  0.0  0.29  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_In2BiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   10.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BiSb
_chemical_formula_sum   'In2 Bi1 Sb1'
_cell_volume   114.69
_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
  In  In0  1  0.05  0.0  0.57  1.0
  In  In1  1  0.05  0.0  1.0  1.0
  Bi  Bi2  1  0.0  0.0  0.29  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

In In Bi Sb
In In Bi Sb 0 3 o o + 0 2 o o + 1 2 o o o 1 1 o + o 1 1 + o o 2 2 o + o 2 2 + o o 2 3 o o o 