data_In2FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeB
_chemical_formula_sum   'In2 Fe1 B1'
_cell_volume   60.97
_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  0.64  0.64  0.3  1.0
  In  In3  1  0.64  0.64  0.39  1.0
  Fe  Fe1  1  0.0  0.0  0.85  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_In2FeB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2FeB
_chemical_formula_sum   'In4 Fe2 B2'
_cell_volume   121.93
_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  0.14  0.5  0.3  1.0
  In  In1  2  0.14  0.5  0.39  1.0
  Fe  Fe2  2  0.0  0.0  0.85  1.0
  B  B3  2  0.0  0.0  0.0  1.0

In In Fe B
In In Fe B 0 1 o o o 2 3 o o + 
FeIn2B crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two FeIn2B clusters. Fe(1) is bonded in a single-bond geometry to one B(1) atom. The Fe(1)-B(1) bond length is 0.88 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 2-coordinate geometry to one In(2) and one B(1) atom. The In(1)-In(2) bond length is 0.54 Å. The In(1)-B(1) bond length is 2.39 Å. In the second In site, In(2) is bonded in a single-bond geometry to one In(1) atom. B(1) is bonded in a distorted single-bond geometry to one Fe(1) and one In(1) atom.