data_InCuGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   151.94
_cell_angle_beta   132.95
_cell_angle_gamma   55.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuGe2
_chemical_formula_sum   'In1 Cu1 Ge2'
_cell_volume   76.52
_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  0.37  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.47  0.0  0.23  1.0
  Ge  Ge2  1  0.0  0.42  0.13  1.0

data_InCuGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.84
_cell_length_c   6.07
_cell_angle_alpha   113.52
_cell_angle_beta   104.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuGe2
_chemical_formula_sum   'In1 Cu1 Ge2'
_cell_volume   76.52
_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  0.37  0.37  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.23  0.76  1.0
  Ge  Ge3  1  0.58  0.71  0.71  1.0

In Cu Ge Ge
CuInGe2 crystallizes in the triclinic P1 space group. Cu(1) is bonded in a 3-coordinate geometry to one In(1), one Ge(1), and one Ge(2) atom. The Cu(1)-In(1) bond length is 2.22 Å. The Cu(1)-Ge(1) bond length is 2.16 Å. The Cu(1)-Ge(2) bond length is 1.90 Å. In(1) is bonded in a 4-coordinate geometry to one Cu(1), one Ge(1), and two equivalent Ge(2) atoms. The In(1)-Ge(1) bond length is 2.73 Å. There is one shorter (2.35 Å) and one longer (2.67 Å) In(1)-Ge(2) bond length. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 1-coordinate geometry to one Cu(1) and one In(1) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one Cu(1) and two equivalent In(1) atoms.