data_InGa2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   144.97
_cell_angle_beta   128.41
_cell_angle_gamma   63.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Ge
_chemical_formula_sum   'In1 Ga2 Ge1'
_cell_volume   84.77
_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  In3  1  0.0  0.0  0.88  1.0
  Ga  Ga0  1  0.73  0.0  0.29  1.0
  Ga  Ga1  1  0.0  0.5  0.59  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_InGa2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.01
_cell_length_c   5.76
_cell_angle_alpha   115.79
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGa2Ge
_chemical_formula_sum   'In1 Ga2 Ge1'
_cell_volume   84.77
_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  In0  1  0.0  0.88  0.88  1.0
  Ga  Ga1  1  0.0  0.29  0.56  1.0
  Ga  Ga2  1  0.5  0.09  0.09  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

In Ga Ga Ge
In Ga Ga Ge 0 3 o o + 0 1 - o o 0 2 o - o 1 3 + o o 1 2 + o o 2 3 o + + 2 3 o o o 
InGa2Ge crystallizes in the triclinic P1 space group. In(1) is bonded in a single-bond geometry to two equivalent Ga(1) and one Ge(1) atom. There is one shorter (2.74 Å) and one longer (3.32 Å) In(1)-Ga(1) bond length. The In(1)-Ge(1) bond length is 0.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to two equivalent In(1), one Ga(2), and one Ge(1) atom. The Ga(1)-Ga(2) bond length is 2.48 Å. The Ga(1)-Ge(1) bond length is 2.89 Å. In the second Ga site, Ga(2) is bonded in a distorted bent 150 degrees geometry to one Ga(1) and two equivalent Ge(1) atoms. There is one shorter (1.64 Å) and one longer (1.96 Å) Ga(2)-Ge(1) bond length. Ge(1) is bonded in a distorted single-bond geometry to one In(1), one Ga(1), and two equivalent Ga(2) atoms.