data_GaCu4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu4Ru
_chemical_formula_sum   'Ga1 Cu4 Ru1'
_cell_volume   77.12
_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
  Ga  Ga4  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.54  0.54  0.22  1.0
  Cu  Cu1  1  0.54  0.22  0.54  1.0
  Cu  Cu2  1  0.22  0.54  0.54  1.0
  Cu  Cu3  1  0.22  0.22  0.22  1.0
  Ru  Ru5  1  0.69  0.69  0.69  1.0

data_GaCu4Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaCu4Ru
_chemical_formula_sum   'Ga3 Cu12 Ru3'
_cell_volume   231.35
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.21  0.1  0.57  1.0
  Cu  Cu2  3  0.0  0.0  0.78  1.0
  Ru  Ru3  3  0.0  0.0  0.31  1.0

Ga Cu Cu Cu Cu Ru
RuCu4Ga crystallizes in the trigonal R3m space group. Ru(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cu(1), three equivalent Cu(2), and three equivalent Ga(1) atoms. All Ru(1)-Cu(1) bond lengths are 2.08 Å. All Ru(1)-Cu(2) bond lengths are 3.18 Å. All Ru(1)-Ga(1) bond lengths are 2.77 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Ru(1), two equivalent Cu(1), three equivalent Cu(2), and two equivalent Ga(1) atoms. Both Cu(1)-Cu(1) bond lengths are 1.50 Å. There is one shorter (2.60 Å) and two longer (2.84 Å) Cu(1)-Cu(2) bond lengths. Both Cu(1)-Ga(1) bond lengths are 2.70 Å. In the second Cu site, Cu(2) is bonded in a 16-coordinate geometry to three equivalent Ru(1), nine equivalent Cu(1), and four equivalent Ga(1) atoms. There is one shorter (2.59 Å) and three longer (3.05 Å) Cu(2)-Ga(1) bond lengths. Ga(1) is bonded in a 13-coordinate geometry to three equivalent Ru(1), four equivalent Cu(2), and six equivalent Cu(1) atoms.