data_InBi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBi2Br
_chemical_formula_sum   'In1 Bi2 Br1'
_cell_volume   118.14
_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  In3  1  0.0  0.0  0.8  1.0
  Bi  Bi0  1  0.15  0.0  0.14  1.0
  Bi  Bi1  1  0.15  0.0  0.46  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_InBi2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InBi2Br
_chemical_formula_sum   'In1 Bi2 Br1'
_cell_volume   118.14
_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  0.0  0.0  0.8  1.0
  Bi  Bi1  1  0.15  0.0  0.14  1.0
  Bi  Bi2  1  0.15  0.0  0.46  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

In Bi Bi Br
InBi2Br crystallizes in the triclinic P1 space group. In(1) is bonded in a single-bond geometry to one Bi(2) and one Br(1) atom. The In(1)-Bi(2) bond length is 3.32 Å. The In(1)-Br(1) bond length is 1.92 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Bi(2) and one Br(1) atom. The Bi(1)-Bi(2) bond length is 3.05 Å. The Bi(1)-Br(1) bond length is 1.46 Å. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one In(1), one Bi(1), and four equivalent Bi(2) atoms. All Bi(2)-Bi(2) bond lengths are 3.58 Å. Br(1) is bonded in a distorted bent 150 degrees geometry to one In(1) and one Bi(1) atom.