data_InGe4Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGe4Bi
_chemical_formula_sum   'In1 Ge4 Bi1'
_cell_volume   136.6
_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  In5  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.06  0.06  0.12  1.0
  Ge  Ge2  1  0.06  0.12  0.06  1.0
  Ge  Ge3  1  0.12  0.06  0.06  1.0
  Ge  Ge4  1  0.12  0.12  0.12  1.0
  Bi  Bi0  1  0.04  0.04  0.04  1.0

data_InGe4Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   14.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InGe4Bi
_chemical_formula_sum   'In3 Ge12 Bi3'
_cell_volume   409.8
_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  0.0  1.0
  Ge  Ge1  9  0.02  0.04  0.92  1.0
  Ge  Ge2  3  0.0  0.0  0.88  1.0
  Bi  Bi3  3  0.0  0.0  0.96  1.0

In Ge Ge Ge Ge Bi
In Ge Ge Ge Ge Bi 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
InGe4Bi is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three InGe4Bi clusters. In(1) is bonded in a single-bond geometry to one Bi(1) atom. The In(1)-Bi(1) bond length is 0.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 3-coordinate geometry to one Ge(2), two equivalent Ge(1), and one Bi(1) atom. The Ge(1)-Ge(2) bond length is 0.56 Å. Both Ge(1)-Ge(1) bond lengths are 0.32 Å. The Ge(1)-Bi(1) bond length is 0.52 Å. In the second Ge site, Ge(2) is bonded in a 3-coordinate geometry to three equivalent Ge(1) atoms. Bi(1) is bonded in a distorted single-bond geometry to one In(1) and three equivalent Ge(1) atoms.