data_Fe2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeBi
_chemical_formula_sum   'Fe2 Ge1 Bi1'
_cell_volume   66.31
_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  0.55  0.55  0.23  1.0
  Fe  Fe2  1  0.55  0.55  0.64  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.44  1.0

data_Fe2GeBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2GeBi
_chemical_formula_sum   'Fe4 Ge2 Bi2'
_cell_volume   132.61
_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
  Fe  Fe0  2  0.05  0.5  0.23  1.0
  Fe  Fe1  2  0.05  0.5  0.64  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.44  1.0

Fe Fe Ge Bi
Fe2GeBi crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to four equivalent Ge(1) and four equivalent Bi(1) atoms. There are a spread of Fe(1)-Ge(1) bond distances ranging from 2.54-2.91 Å. There are a spread of Fe(1)-Bi(1) bond distances ranging from 2.42-2.81 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Ge(1) and four equivalent Bi(1) atoms. The Fe(2)-Ge(1) bond length is 3.14 Å. There are a spread of Fe(2)-Bi(1) bond distances ranging from 2.42-2.81 Å. Ge(1) is bonded in a 5-coordinate geometry to one Fe(2) and four equivalent Fe(1) atoms. Bi(1) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms.