data_ZnGaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaCu2
_chemical_formula_sum   'Zn1 Ga1 Cu2'
_cell_volume   54.5
_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
  Zn  Zn3  1  0.0  0.0  0.2  1.0
  Ga  Ga2  1  0.58  0.58  0.62  1.0
  Cu  Cu0  1  0.58  0.58  0.01  1.0
  Cu  Cu1  1  0.0  0.0  0.33  1.0

data_ZnGaCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnGaCu2
_chemical_formula_sum   'Zn2 Ga2 Cu4'
_cell_volume   108.99
_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
  Zn  Zn0  2  0.0  0.0  0.2  1.0
  Ga  Ga1  2  0.08  0.5  0.62  1.0
  Cu  Cu2  2  0.0  0.0  0.33  1.0
  Cu  Cu3  2  0.08  0.5  0.01  1.0

Zn Ga Cu Cu
Cu2ZnGa crystallizes in the monoclinic Cm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to four equivalent Zn(1) and one Ga(1) atom. There are a spread of Cu(1)-Zn(1) bond distances ranging from 2.13-2.80 Å. The Cu(1)-Ga(1) bond length is 2.13 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Zn(1) and four equivalent Ga(1) atoms. The Cu(2)-Zn(1) bond length is 0.73 Å. There are a spread of Cu(2)-Ga(1) bond distances ranging from 2.44-3.04 Å. Zn(1) is bonded in a single-bond geometry to one Cu(2) and four equivalent Cu(1) atoms. Ga(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Cu(2) atoms.