data_Ge2BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiSb
_chemical_formula_sum   'Ge2 Bi1 Sb1'
_cell_volume   96.89
_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  Ge1  1  0.82  0.82  0.82  1.0
  Ge  Ge2  1  0.47  0.47  0.47  1.0
  Bi  Bi0  1  0.65  0.65  0.65  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Ge2BiSb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ge2BiSb
_chemical_formula_sum   'Ge6 Bi3 Sb3'
_cell_volume   290.68
_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
  Ge  Ge0  3  0.0  0.0  0.18  1.0
  Ge  Ge1  3  0.0  0.0  0.53  1.0
  Bi  Bi2  3  0.0  0.0  0.35  1.0
  Sb  Sb3  3  0.0  0.0  0.0  1.0

Ge Ge Bi Sb
Ge2BiSb crystallizes in the trigonal R3m space group. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted linear geometry to one Bi(1) and one Sb(1) atom. The Ge(1)-Bi(1) bond length is 2.24 Å. The Ge(1)-Sb(1) bond length is 2.24 Å. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Ge(2)-Bi(1) bond length is 2.24 Å. Bi(1) is bonded to one Ge(1), one Ge(2), and three equivalent Sb(1) atoms to form distorted BiGe2Sb3 trigonal bipyramids that share corners with six equivalent Bi(1)Ge2Sb3 trigonal bipyramids and  a cornercorner with one Sb(1)GeBi3 trigonal pyramid. All Bi(1)-Sb(1) bond lengths are 2.99 Å. Sb(1) is bonded to one Ge(1) and three equivalent Bi(1) atoms to form distorted SbGeBi3 trigonal pyramids that share  a cornercorner with one Bi(1)Ge2Sb3 trigonal bipyramid and corners with six equivalent Sb(1)GeBi3 trigonal pyramids.