data_K2GaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   122.43
_cell_angle_beta   122.43
_cell_angle_gamma   85.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GaCu
_chemical_formula_sum   'K2 Ga1 Cu1'
_cell_volume   114.95
_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
  K  K2  1  0.0  0.0  0.0  1.0
  K  K3  1  0.66  0.0  0.03  1.0
  Ga  Ga1  1  0.0  0.66  0.03  1.0
  Cu  Cu0  1  0.0  0.0  0.05  1.0

data_K2GaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.53
_cell_angle_alpha   118.78
_cell_angle_beta   118.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2GaCu
_chemical_formula_sum   'K2 Ga1 Cu1'
_cell_volume   114.95
_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
  K  K0  1  0.0  0.0  0.0  1.0
  K  K1  1  0.97  0.0  0.64  1.0
  Ga  Ga2  1  0.64  0.66  0.64  1.0
  Cu  Cu3  1  0.95  0.0  0.95  1.0

K K Ga Cu
K2CuGa crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a single-bond geometry to one Cu(1) and two equivalent Ga(1) atoms. The K(1)-Cu(1) bond length is 0.28 Å. There is one shorter (1.94 Å) and one longer (3.60 Å) K(1)-Ga(1) bond length. In the second K site, K(2) is bonded in a distorted single-bond geometry to one Cu(1) and three equivalent Ga(1) atoms. The K(2)-Cu(1) bond length is 1.79 Å. There is one shorter (2.54 Å) and two longer (3.96 Å) K(2)-Ga(1) bond lengths. Cu(1) is bonded in a single-bond geometry to one K(1), one K(2), and one Ga(1) atom. The Cu(1)-Ga(1) bond length is 1.79 Å. Ga(1) is bonded in a 6-coordinate geometry to two equivalent K(1), three equivalent K(2), and one Cu(1) atom.