data_GeBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi4
_chemical_formula_sum   'Ge1 Bi4'
_cell_volume   168.73
_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
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.74  0.26  0.74  1.0
  Bi  Bi1  1  0.74  0.74  0.74  1.0
  Bi  Bi2  1  0.74  0.74  0.26  1.0
  Bi  Bi3  1  0.26  0.74  0.74  1.0

data_GeBi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.85
_cell_length_b   9.85
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GeBi4
_chemical_formula_sum   'Ge3 Bi12'
_cell_volume   506.19
_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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Ge  Ge0  3  0.0  0.0  0.0  1.0
  Bi  Bi1  9  0.01  0.51  0.25  1.0
  Bi  Bi2  3  0.0  0.0  0.74  1.0

Ge Bi Bi Bi Bi
GeBi4 crystallizes in the trigonal R3m space group. Ge(1) is bonded in a single-bond geometry to one Bi(2) and three equivalent Bi(1) atoms. The Ge(1)-Bi(2) bond length is 1.56 Å. All Ge(1)-Bi(1) bond lengths are 3.00 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Ge(1), two equivalent Bi(2), and four equivalent Bi(1) atoms to form a mixture of corner, edge, and face-sharing BiGeBi6 pentagonal bipyramids. There is one shorter (2.90 Å) and one longer (3.13 Å) Bi(1)-Bi(2) bond length. All Bi(1)-Bi(1) bond lengths are 3.49 Å. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Ge(1) and six equivalent Bi(1) atoms.