data_In2GaBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   5.34
_cell_angle_alpha   95.14
_cell_angle_beta   95.14
_cell_angle_gamma   33.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaBr
_chemical_formula_sum   'In2 Ga1 Br1'
_cell_volume   110.61
_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  In2  1  0.16  0.0  0.27  1.0
  In  In3  1  0.62  0.0  0.36  1.0
  Ga  Ga1  1  0.56  0.0  0.97  1.0
  Br  Br0  1  0.59  0.0  0.69  1.0

data_In2GaBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.34
_cell_length_c   6.1
_cell_angle_alpha   95.14
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2GaBr
_chemical_formula_sum   'In2 Ga1 Br1'
_cell_volume   110.61
_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  0.27  0.16  1.0
  In  In1  1  0.0  0.36  0.62  1.0
  Ga  Ga2  1  0.0  0.97  0.56  1.0
  Br  Br3  1  0.0  0.69  0.59  1.0

In In Ga Br
In2GaBr crystallizes in the triclinic P1 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to two equivalent In(1), two equivalent In(2), one Ga(1), and one Br(1) atom. Both In(1)-In(1) bond lengths are 3.56 Å. There is one shorter (2.80 Å) and one longer (3.38 Å) In(1)-In(2) bond length. The In(1)-Ga(1) bond length is 3.02 Å. The In(1)-Br(1) bond length is 3.27 Å. In the second In site, In(2) is bonded in a distorted single-bond geometry to two equivalent In(1) and one Br(1) atom. The In(2)-Br(1) bond length is 1.77 Å. Ga(1) is bonded in a distorted single-bond geometry to one In(1) and one Br(1) atom. The Ga(1)-Br(1) bond length is 1.53 Å. Br(1) is bonded in a linear geometry to one In(1), one In(2), and one Ga(1) atom.