data_Zr2CuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   4.68
_cell_angle_alpha   114.44
_cell_angle_beta   114.44
_cell_angle_gamma   33.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CuGe
_chemical_formula_sum   'Zr2 Cu1 Ge1'
_cell_volume   72.4
_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
  Zr  Zr2  1  0.6  0.0  0.18  1.0
  Zr  Zr3  1  0.62  0.0  0.14  1.0
  Cu  Cu0  1  0.53  0.0  0.17  1.0
  Ge  Ge1  1  0.9  0.0  0.08  1.0

data_Zr2CuGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.68
_cell_length_c   5.58
_cell_angle_alpha   114.44
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CuGe
_chemical_formula_sum   'Zr2 Cu1 Ge1'
_cell_volume   72.4
_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
  Zr  Zr0  1  0.0  0.14  0.62  1.0
  Zr  Zr1  1  0.0  0.18  0.6  1.0
  Cu  Cu2  1  0.0  0.17  0.53  1.0
  Ge  Ge3  1  0.0  0.08  0.9  1.0

Zr Zr Cu Ge
Zr2CuGe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2CuGe cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a bent 120 degrees geometry to one Zr(2) and one Cu(1) atom. The Zr(1)-Zr(2) bond length is 0.22 Å. The Zr(1)-Cu(1) bond length is 0.40 Å. In the second Zr site, Zr(2) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and one Ge(1) atom. The Zr(2)-Ge(1) bond length is 1.71 Å. Cu(1) is bonded in a single-bond geometry to one Zr(1) atom. Ge(1) is bonded in a single-bond geometry to one Zr(2) atom.