data_GaGeSb2
_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   GaGeSb2
_chemical_formula_sum   'Ga1 Ge1 Sb2'
_cell_volume   97.19
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.65  0.65  0.65  1.0
  Sb  Sb2  1  0.82  0.82  0.82  1.0
  Sb  Sb3  1  0.47  0.47  0.47  1.0

data_GaGeSb2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaGeSb2
_chemical_formula_sum   'Ga3 Ge3 Sb6'
_cell_volume   291.58
_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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Ge  Ge1  3  0.0  0.0  0.35  1.0
  Sb  Sb2  3  0.0  0.0  0.18  1.0
  Sb  Sb3  3  0.0  0.0  0.53  1.0

Ga Ge Sb Sb
GaGeSb2 crystallizes in the trigonal R3m space group. Ga(1) is bonded to three equivalent Ge(1) and one Sb(1) atom to form distorted GaGe3Sb trigonal pyramids that share  a cornercorner with one Ge(1)Ga3Sb2 trigonal bipyramid and corners with six equivalent Ga(1)Ge3Sb trigonal pyramids. All Ga(1)-Ge(1) bond lengths are 2.99 Å. The Ga(1)-Sb(1) bond length is 2.22 Å. Ge(1) is bonded to three equivalent Ga(1), one Sb(1), and one Sb(2) atom to form GeGa3Sb2 trigonal bipyramids that share corners with six equivalent Ge(1)Ga3Sb2 trigonal bipyramids and  a cornercorner with one Ga(1)Ge3Sb trigonal pyramid. The Ge(1)-Sb(1) bond length is 2.22 Å. The Ge(1)-Sb(2) bond length is 2.22 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted linear geometry to one Ga(1) and one Ge(1) atom. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Ge(1) atom.