data_In2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   3.74
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   115.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BSb
_chemical_formula_sum   'In2 B1 Sb1'
_cell_volume   91.3
_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  0.11  0.87  0.61  1.0
  In  In2  1  0.62  0.87  0.25  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.51  0.0  0.0  1.0

data_In2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.03
_cell_length_c   5.37
_cell_angle_alpha   115.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BSb
_chemical_formula_sum   'In2 B1 Sb1'
_cell_volume   91.3
_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  0.13  0.38  0.75  1.0
  In  In1  1  0.13  0.89  0.39  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.49  0.0  1.0

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