data_ZrTiCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiCu2
_chemical_formula_sum   'Zr1 Ti1 Cu2'
_cell_volume   62.6
_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  Zr3  1  0.11  0.0  0.54  1.0
  Ti  Ti2  1  0.0  0.0  0.55  1.0
  Cu  Cu0  1  0.0  0.0  0.34  1.0
  Cu  Cu1  1  0.11  0.0  0.04  1.0

data_ZrTiCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiCu2
_chemical_formula_sum   'Zr1 Ti1 Cu2'
_cell_volume   62.6
_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  0.11  0.0  0.54  1.0
  Ti  Ti1  1  0.0  0.0  0.55  1.0
  Cu  Cu2  1  0.0  0.0  0.34  1.0
  Cu  Cu3  1  0.11  0.0  0.04  1.0

Zr Ti Cu Cu
Cu2TiZr crystallizes in the triclinic P1 space group. Zr(1) is bonded in a single-bond geometry to one Ti(1), one Cu(1), and one Cu(2) atom. The Zr(1)-Ti(1) bond length is 0.34 Å. The Zr(1)-Cu(1) bond length is 1.36 Å. The Zr(1)-Cu(2) bond length is 3.26 Å. Ti(1) is bonded in a single-bond geometry to one Zr(1), one Cu(1), and one Cu(2) atom. The Ti(1)-Cu(1) bond length is 1.36 Å. The Ti(1)-Cu(2) bond length is 3.23 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one Zr(1), one Ti(1), and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 2.04 Å. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to one Zr(1), one Ti(1), one Cu(1), and four equivalent Cu(2) atoms. All Cu(2)-Cu(2) bond lengths are 3.09 Å.