data_In2FeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   19.67
_cell_angle_beta   19.67
_cell_angle_gamma   19.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeAu
_chemical_formula_sum   'In2 Fe1 Au1'
_cell_volume   76.78
_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  0.0  0.87  1.0
  In  In3  1  0.0  0.0  0.14  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.51  1.0

data_In2FeAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   101.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2FeAu
_chemical_formula_sum   'In4 Fe2 Au2'
_cell_volume   153.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.13  1.0
  In  In1  2  0.0  0.0  0.86  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.49  1.0

In In Fe Au
FeAuIn2 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a linear geometry to one In(1) and one In(2) atom. The Fe(1)-In(1) bond length is 1.18 Å. The Fe(1)-In(2) bond length is 1.29 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to six Au(1,1); one In(1); and one In(2) atom to form a mixture of distorted corner and edge-sharing AuIn2Au6 hexagonal bipyramids. All Au(1)-Au(1,1) bond lengths are 3.14 Å. The Au(1)-In(1) bond length is 3.36 Å. The Au(1)-In(2) bond length is 3.36 Å. In the second Au site, Au(1) is bonded to six Au(1,1); one In(1); and one In(2) atom to form a mixture of distorted corner and edge-sharing AuIn2Au6 hexagonal bipyramids. Both Au(1)-Au(1) bond lengths are 3.14 Å. The Au(1)-In(1) bond length is 3.36 Å. The Au(1)-In(2) bond length is 3.36 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Fe(1) and one Au(1) atom. In the second In site, In(2) is bonded in a single-bond geometry to one Fe(1) and one Au(1) atom.