data_InCu4Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu4Ge
_chemical_formula_sum   'In1 Cu4 Ge1'
_cell_volume   89.4
_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  In5  1  0.77  0.77  0.77  1.0
  Cu  Cu0  1  0.66  0.66  0.44  1.0
  Cu  Cu1  1  0.66  0.44  0.66  1.0
  Cu  Cu2  1  0.44  0.66  0.66  1.0
  Cu  Cu3  1  0.44  0.44  0.44  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0

data_InCu4Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   12.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InCu4Ge
_chemical_formula_sum   'In3 Cu12 Ge3'
_cell_volume   268.21
_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
  In  In0  3  0.0  0.0  0.23  1.0
  Cu  Cu1  9  0.15  0.08  0.41  1.0
  Cu  Cu2  3  0.0  0.0  0.56  1.0
  Ge  Ge3  3  0.0  0.0  -0.0  1.0

In Cu Cu Cu Cu Ge
In Cu Cu Cu Cu Ge 0 3 o o o 0 3 + o o 0 2 o o o 0 2 o + o 0 1 o o o 0 1 o o + 0 4 o o + 0 4 o + o 0 4 + o o 0 5 + + + 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + + o 2 3 o o o 2 4 o o o 2 5 + o + 3 4 o o o 3 5 o + + 
Cu4InGe crystallizes in the trigonal R3m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Cu(2), two equivalent Cu(1), two equivalent In(1), and one Ge(1) atom. The Cu(1)-Cu(2) bond length is 1.96 Å. Both Cu(1)-Cu(1) bond lengths are 1.13 Å. There is one shorter (2.40 Å) and one longer (2.87 Å) Cu(1)-In(1) bond length. The Cu(1)-Ge(1) bond length is 2.45 Å. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent In(1), and three equivalent Ge(1) atoms. All Cu(2)-In(1) bond lengths are 2.90 Å. All Cu(2)-Ge(1) bond lengths are 3.16 Å. In(1) is bonded in a 13-coordinate geometry to three equivalent Cu(2), six equivalent Cu(1), and four equivalent Ge(1) atoms. There is one shorter (2.77 Å) and three longer (3.19 Å) In(1)-Ge(1) bond lengths. Ge(1) is bonded in a 10-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), and four equivalent In(1) atoms.