data_In2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   8.09
_cell_angle_alpha   103.9
_cell_angle_beta   103.9
_cell_angle_gamma   29.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Bi
_chemical_formula_sum   'In4 Bi2'
_cell_volume   176.32
_cell_formula_units_Z   2
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  In2  1  0.01  0.0  0.6  1.0
  In  In3  1  0.51  0.0  0.44  1.0
  In  In4  1  0.52  0.0  0.77  1.0
  In  In5  1  0.5  0.0  0.19  1.0
  Bi  Bi0  1  0.03  0.0  0.82  1.0
  Bi  Bi1  1  0.96  0.0  0.23  1.0

data_In2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   6.74
_cell_length_c   8.09
_cell_angle_alpha   103.9
_cell_angle_beta   90.0
_cell_angle_gamma   104.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Bi
_chemical_formula_sum   'In4 Bi2'
_cell_volume   176.32
_cell_formula_units_Z   2
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  0.0  0.48  0.23  1.0
  In  In1  1  0.0  0.49  0.56  1.0
  In  In2  1  0.0  0.5  0.81  1.0
  In  In3  1  0.0  0.99  0.4  1.0
  Bi  Bi4  1  0.0  0.04  0.77  1.0
  Bi  Bi5  1  0.0  0.97  0.18  1.0

In In In In Bi Bi
In2Bi crystallizes in the triclinic P1 space group. There are four inequivalent In sites. In the first In site, In(1) is bonded in a distorted single-bond geometry to one In(3), one Bi(1), and one Bi(2) atom. The In(1)-In(3) bond length is 3.35 Å. The In(1)-Bi(1) bond length is 1.80 Å. The In(1)-Bi(2) bond length is 2.95 Å. In the second In site, In(2) is bonded in a 2-coordinate geometry to one In(3) and one In(4) atom. The In(2)-In(3) bond length is 2.69 Å. The In(2)-In(4) bond length is 2.01 Å. In the third In site, In(3) is bonded in a 7-coordinate geometry to one In(1), one In(2), one In(4), two equivalent In(3), and two equivalent Bi(1) atoms. The In(3)-In(4) bond length is 3.39 Å. Both In(3)-In(3) bond lengths are 3.45 Å. There is one shorter (3.37 Å) and one longer (3.43 Å) In(3)-Bi(1) bond length. In the fourth In site, In(4) is bonded in a distorted water-like geometry to one In(2), one In(3), and one Bi(2) atom. The In(4)-Bi(2) bond length is 2.98 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one In(1) and two equivalent In(3) atoms. In the second Bi site, Bi(2) is bonded in a distorted L-shaped geometry to one In(1) and one In(4) atom.