data_ZrCrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrCu
_chemical_formula_sum   'Zr1 Cr1 Cu1'
_cell_volume   46.25
_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  0.38  0.79  0.69  1.0
  Cr  Cr0  1  0.0  0.0  0.16  1.0
  Cu  Cu1  1  0.0  0.59  0.21  1.0

data_ZrCrCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrCu
_chemical_formula_sum   'Zr1 Cr1 Cu1'
_cell_volume   46.25
_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  0.38  0.79  0.69  1.0
  Cr  Cr1  1  0.0  0.0  0.16  1.0
  Cu  Cu2  1  0.0  0.59  0.21  1.0

Zr Cr Cu
CuCrZr crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1), two equivalent Cr(1), and one Cu(1) atom. All Zr(1)-Zr(1) bond lengths are 2.75 Å. There is one shorter (3.55 Å) and one longer (3.60 Å) Zr(1)-Cr(1) bond length. The Zr(1)-Cu(1) bond length is 3.56 Å. Cr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Zr(1) and two equivalent Cu(1) atoms. There is one shorter (1.18 Å) and one longer (1.65 Å) Cr(1)-Cu(1) bond length. Cu(1) is bonded in a distorted bent 150 degrees geometry to one Zr(1) and two equivalent Cr(1) atoms.