data_In2FeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeBi
_chemical_formula_sum   'In2 Fe1 Bi1'
_cell_volume   98.03
_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  0.49  0.49  0.49  1.0
  In  In3  1  0.66  0.66  0.66  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.83  0.83  0.83  1.0

data_In2FeBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2FeBi
_chemical_formula_sum   'In6 Fe3 Bi3'
_cell_volume   294.1
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.34  1.0
  In  In1  3  0.0  0.0  0.51  1.0
  Fe  Fe2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.17  1.0

In In Fe Bi
FeIn2Bi crystallizes in the trigonal R3m space group. Fe(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Fe(1)-Bi(1) bond length is 2.16 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one In(2) and three equivalent Bi(1) atoms to form InInBi3 trigonal pyramids that share  a cornercorner with one Bi(1)In4Fe trigonal bipyramid and corners with six equivalent In(1)InBi3 trigonal pyramids. The In(1)-In(2) bond length is 2.16 Å. All In(1)-Bi(1) bond lengths are 2.99 Å. In the second In site, In(2) is bonded in a distorted single-bond geometry to one In(1) and one Bi(1) atom. The In(2)-Bi(1) bond length is 2.16 Å. Bi(1) is bonded to one Fe(1), one In(2), and three equivalent In(1) atoms to form distorted BiIn4Fe trigonal bipyramids that share corners with six equivalent Bi(1)In4Fe trigonal bipyramids and  a cornercorner with one In(1)InBi3 trigonal pyramid.