data_Cu2GeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeBi
_chemical_formula_sum   'Cu2 Ge1 Bi1'
_cell_volume   75.13
_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
  Cu  Cu1  1  0.0  0.0  0.45  1.0
  Cu  Cu2  1  0.59  0.59  0.69  1.0
  Ge  Ge3  1  0.0  0.0  0.08  1.0
  Bi  Bi0  1  0.59  0.59  0.94  1.0

data_Cu2GeBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2GeBi
_chemical_formula_sum   'Cu4 Ge2 Bi2'
_cell_volume   150.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cu  Cu0  2  0.0  0.0  0.45  1.0
  Cu  Cu1  2  0.09  0.5  0.69  1.0
  Ge  Ge2  2  0.0  0.0  0.08  1.0
  Bi  Bi3  2  0.09  0.5  0.94  1.0

Cu Cu Ge Bi
Cu2GeBi crystallizes in the monoclinic Cm space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), and one Ge(1) atom. All Cu(1)-Cu(1) bond lengths are 3.18 Å. There are a spread of Cu(1)-Cu(2) bond distances ranging from 2.56-3.18 Å. The Cu(1)-Ge(1) bond length is 2.77 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to four Cu(1,1) and one Bi(1) atom. Both Cu(2)-Cu(1) bond lengths are 2.89 Å. The Cu(2)-Bi(1) bond length is 1.90 Å. In the third Cu site, Cu(1) is bonded in a 9-coordinate geometry to four equivalent Cu(1), four equivalent Cu(2), and one Ge(1) atom. The Cu(1)-Ge(1) bond length is 2.77 Å. Ge(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Bi(1) atoms. There are a spread of Ge(1)-Bi(1) bond distances ranging from 2.10-2.83 Å. Bi(1) is bonded in a 5-coordinate geometry to one Cu(2) and four equivalent Ge(1) atoms.