data_In5Fe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In5Fe3
_chemical_formula_sum   'In10 Fe6'
_cell_volume   246.73
_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  In6  1  0.72  0.15  0.57  1.0
  In  In7  1  0.0  0.29  0.0  1.0
  In  In8  1  0.0  0.29  0.57  1.0
  In  In9  1  0.72  0.15  0.0  1.0
  In  In10  1  0.16  0.92  0.86  1.0
  In  In11  1  0.12  0.52  0.29  1.0
  In  In12  1  0.88  0.52  0.86  1.0
  In  In13  1  0.68  0.0  0.86  1.0
  In  In14  1  0.76  0.0  0.29  1.0
  In  In15  1  0.84  0.92  0.29  1.0
  Fe  Fe0  1  0.5  0.6  0.86  1.0
  Fe  Fe1  1  0.78  0.84  0.29  1.0
  Fe  Fe2  1  0.22  0.84  0.86  1.0
  Fe  Fe3  1  0.01  0.0  0.86  1.0
  Fe  Fe4  1  0.43  0.0  0.29  1.0
  Fe  Fe5  1  0.5  0.6  0.29  1.0

data_In5Fe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In5Fe3
_chemical_formula_sum   'In10 Fe6'
_cell_volume   246.73
_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  -0.0  0.29  1.0
  In  In1  1  0.0  0.72  0.15  1.0
  In  In2  1  0.29  0.12  0.52  1.0
  In  In3  1  0.29  0.76  0.0  1.0
  In  In4  1  0.29  0.84  0.92  1.0
  In  In5  1  0.57  -0.0  0.29  1.0
  In  In6  1  0.57  0.72  0.15  1.0
  In  In7  1  0.86  0.16  0.92  1.0
  In  In8  1  0.86  0.68  0.0  1.0
  In  In9  1  0.86  0.88  0.52  1.0
  Fe  Fe10  1  0.29  0.43  0.0  1.0
  Fe  Fe11  1  0.29  0.5  0.6  1.0
  Fe  Fe12  1  0.29  0.78  0.84  1.0
  Fe  Fe13  1  0.86  0.01  0.0  1.0
  Fe  Fe14  1  0.86  0.22  0.84  1.0
  Fe  Fe15  1  0.86  0.5  0.6  1.0

In In In In In In In In In In Fe Fe Fe Fe Fe Fe
Fe3In5 crystallizes in the triclinic P1 space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Fe(6) and one In(8) atom. The Fe(1)-Fe(6) bond length is 2.19 Å. The Fe(1)-In(8) bond length is 2.55 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(6) and one In(10) atom. The Fe(2)-Fe(6) bond length is 1.94 Å. The Fe(2)-In(10) bond length is 0.53 Å. In the third Fe site, Fe(3) is bonded in a single-bond geometry to two equivalent Fe(5), one In(5), and one In(7) atom. There is one shorter (2.62 Å) and one longer (3.29 Å) Fe(3)-Fe(5) bond length. The Fe(3)-In(5) bond length is 0.88 Å. The Fe(3)-In(7) bond length is 2.42 Å. In the fourth Fe site, Fe(4) is bonded in a distorted single-bond geometry to one In(2) and one In(5) atom. The Fe(4)-In(2) bond length is 2.33 Å. The Fe(4)-In(5) bond length is 1.54 Å. In the fifth Fe site, Fe(5) is bonded in a 10-coordinate geometry to one Fe(6), two equivalent Fe(3), one In(1), one In(4), one In(6), one In(8), one In(9), and two equivalent In(5) atoms. The Fe(5)-Fe(6) bond length is 3.25 Å. The Fe(5)-In(1) bond length is 2.37 Å. The Fe(5)-In(4) bond length is 2.37 Å. The Fe(5)-In(6) bond length is 3.11 Å. The Fe(5)-In(8) bond length is 2.86 Å. The Fe(5)-In(9) bond length is 2.44 Å. There is one shorter (2.82 Å) and one longer (3.46 Å) Fe(5)-In(5) bond length. In the sixth Fe site, Fe(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Fe(5), and one In(6) atom. The Fe(6)-In(6) bond length is 2.60 Å. There are ten inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to one Fe(5), one In(3), one In(8), and one In(9) atom. The In(1)-In(3) bond length is 1.81 Å. The In(1)-In(8) bond length is 1.77 Å. The In(1)-In(9) bond length is 1.95 Å. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Fe(4), one In(3), one In(4), one In(6), and one In(7) atom. The In(2)-In(3) bond length is 2.19 Å. The In(2)-In(4) bond length is 1.81 Å. The In(2)-In(6) bond length is 2.09 Å. The In(2)-In(7) bond length is 2.40 Å. In the third In site, In(3) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one In(6) atom. The In(3)-In(6) bond length is 2.09 Å. In the fourth In site, In(4) is bonded in a 1-coordinate geometry to one Fe(5), one In(2), and one In(8) atom. The In(4)-In(8) bond length is 1.21 Å. In the fifth In site, In(5) is bonded in a 2-coordinate geometry to one Fe(3), one Fe(4), and two equivalent Fe(5) atoms. In the sixth In site, In(6) is bonded in a 3-coordinate geometry to one Fe(5), one Fe(6), one In(2), and one In(3) atom. In the seventh In site, In(7) is bonded in a 1-coordinate geometry to one Fe(3) and one In(2) atom. In the eighth In site, In(8) is bonded in a 1-coordinate geometry to one Fe(1), one Fe(5), one In(1), and one In(4) atom. In the ninth In site, In(9) is bonded in a distorted single-bond geometry to one Fe(5), one In(1), and one In(10) atom. The In(9)-In(10) bond length is 1.04 Å. In the tenth In site, In(10) is bonded in a distorted water-like geometry to one Fe(2) and one In(9) atom.