data_In2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   145.84
_cell_angle_beta   130.34
_cell_angle_gamma   61.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Bi
_chemical_formula_sum   'In2 Bi1'
_cell_volume   88.5
_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  0.0  0.0  0.41  1.0
  In  In2  1  0.0  0.0  0.78  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_In2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.98
_cell_length_c   5.93
_cell_angle_alpha   114.83
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Bi
_chemical_formula_sum   'In2 Bi1'
_cell_volume   88.5
_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  0.22  0.22  0.22  1.0
  In  In1  1  0.59  0.59  0.59  1.0
  Bi  Bi2  1  0.0  0.0  0.0  1.0

In In Bi
In In Bi 0 2 o o o 0 1 o o o 1 2 o o + 