data_Fe2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   135.1
_cell_angle_beta   135.1
_cell_angle_gamma   65.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiBi
_chemical_formula_sum   'Fe2 Si1 Bi1'
_cell_volume   64.74
_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
  Fe  Fe1  1  0.0  0.0  0.28  1.0
  Fe  Fe2  1  0.0  0.94  0.14  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.94  0.0  0.14  1.0

data_Fe2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.09
_cell_angle_alpha   112.45
_cell_angle_beta   112.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiBi
_chemical_formula_sum   'Fe2 Si1 Bi1'
_cell_volume   64.74
_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
  Fe  Fe0  1  0.72  0.0  0.72  1.0
  Fe  Fe1  1  0.8  0.94  0.8  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.86  0.0  0.8  1.0

Fe Fe Si Bi
Fe Fe Si Bi 0 3 - o o 0 1 o - o 1 3 - + o 1 2 o + o 2 3 - o o 
Fe2SiBi is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Fe2SiBi cluster. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Fe(2) and one Bi(1) atom. The Fe(1)-Fe(2) bond length is 0.56 Å. The Fe(1)-Bi(1) bond length is 0.56 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(1), one Si(1), and one Bi(1) atom. The Fe(2)-Si(1) bond length is 0.95 Å. The Fe(2)-Bi(1) bond length is 0.31 Å. Si(1) is bonded in a 2-coordinate geometry to one Fe(2) and one Bi(1) atom. The Si(1)-Bi(1) bond length is 0.95 Å. Bi(1) is bonded in a single-bond geometry to one Fe(1), one Fe(2), and one Si(1) atom.