data_In2FeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   153.95
_cell_angle_beta   141.44
_cell_angle_gamma   47.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeBr
_chemical_formula_sum   'In2 Fe1 Br1'
_cell_volume   95.28
_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  0.0  0.33  0.04  1.0
  In  In3  1  0.59  0.0  0.42  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.45  1.0

data_In2FeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.65
_cell_length_c   7.04
_cell_angle_alpha   109.28
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeBr
_chemical_formula_sum   'In2 Fe1 Br1'
_cell_volume   95.28
_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  0.42  0.83  1.0
  In  In1  1  0.67  0.71  0.71  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.45  0.45  1.0

In In Fe Br
FeIn2Br crystallizes in the triclinic P1 space group. Fe(1) is bonded in a 3-coordinate geometry to one In(1), two equivalent In(2), and one Br(1) atom. The Fe(1)-In(1) bond length is 2.06 Å. There is one shorter (2.57 Å) and one longer (2.59 Å) Fe(1)-In(2) bond length. The Fe(1)-Br(1) bond length is 3.20 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one Fe(1), one In(2), and two equivalent Br(1) atoms. The In(1)-In(2) bond length is 2.00 Å. There is one shorter (2.27 Å) and one longer (2.47 Å) In(1)-Br(1) bond length. In the second In site, In(2) is bonded in a 4-coordinate geometry to two equivalent Fe(1), one In(1), and one Br(1) atom. The In(2)-Br(1) bond length is 2.71 Å. Br(1) is bonded in a 4-coordinate geometry to one Fe(1), one In(2), and two equivalent In(1) atoms.