data_GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   7.35
_cell_angle_alpha   108.18
_cell_angle_beta   108.18
_cell_angle_gamma   30.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGe
_chemical_formula_sum   'Ga3 Ge3'
_cell_volume   113.88
_cell_formula_units_Z   3
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  0.02  1.0
  Ga  Ga1  1  0.08  0.0  0.63  1.0
  Ga  Ga2  1  0.57  0.0  0.92  1.0
  Ge  Ge3  1  0.47  0.0  0.32  1.0
  Ge  Ge4  1  0.16  0.0  0.27  1.0
  Ge  Ge5  1  0.65  0.0  0.55  1.0

data_GaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.67
_cell_length_c   7.35
_cell_angle_alpha   108.18
_cell_angle_beta   90.0
_cell_angle_gamma   105.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGe
_chemical_formula_sum   'Ga3 Ge3'
_cell_volume   113.88
_cell_formula_units_Z   3
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  0.43  0.08  1.0
  Ga  Ga1  1  0.0  0.92  0.37  1.0
  Ga  Ga2  1  0.0  1.0  0.98  1.0
  Ge  Ge3  1  0.0  0.35  0.45  1.0
  Ge  Ge4  1  0.0  0.53  0.68  1.0
  Ge  Ge5  1  0.0  0.84  0.73  1.0

Ga Ga Ga Ge Ge Ge
Ga Ga Ga Ge Ge Ge 0 4 o o o 0 1 o o - 0 2 - o - 1 1 + - o 1 5 - o o 1 4 o o o 1 2 o o o 2 3 o o + 2 2 + - o 2 5 o o o 3 4 o o o 3 5 o o o 
GaGe crystallizes in the triclinic P1 space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one Ga(3) and one Ge(2) atom. The Ga(1)-Ga(3) bond length is 2.33 Å. The Ga(1)-Ge(2) bond length is 1.79 Å. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one Ga(3), one Ge(2), and one Ge(3) atom. The Ga(2)-Ga(3) bond length is 2.93 Å. The Ga(2)-Ge(2) bond length is 2.86 Å. The Ga(2)-Ge(3) bond length is 2.30 Å. In the third Ga site, Ga(3) is bonded in a 6-coordinate geometry to one Ga(1), one Ga(2), two equivalent Ga(3), one Ge(1), and one Ge(3) atom. Both Ga(3)-Ga(3) bond lengths are 3.00 Å. The Ga(3)-Ge(1) bond length is 3.17 Å. The Ga(3)-Ge(3) bond length is 2.90 Å. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a bent 120 degrees geometry to one Ga(3), one Ge(2), and one Ge(3) atom. The Ge(1)-Ge(2) bond length is 1.64 Å. The Ge(1)-Ge(3) bond length is 1.68 Å. In the second Ge site, Ge(2) is bonded in a 3-coordinate geometry to one Ga(1), one Ga(2), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 3-coordinate geometry to one Ga(2), one Ga(3), and one Ge(1) atom.