data_CuAsRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsRu4
_chemical_formula_sum   'Cu1 As1 Ru4'
_cell_volume   94.69
_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
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.43  0.43  0.43  1.0
  Ru  Ru2  1  0.52  0.52  0.71  1.0
  Ru  Ru3  1  0.52  0.71  0.52  1.0
  Ru  Ru4  1  0.71  0.52  0.52  1.0
  Ru  Ru5  1  0.71  0.71  0.71  1.0

data_CuAsRu4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuAsRu4
_chemical_formula_sum   'Cu3 As3 Ru12'
_cell_volume   284.07
_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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  As  As1  3  0.0  0.0  0.57  1.0
  Ru  Ru2  9  0.06  0.13  0.41  1.0
  Ru  Ru3  3  0.0  0.0  0.29  1.0

Cu As Ru Ru Ru Ru
Cu As Ru Ru Ru Ru 0 5 - - o 0 5 - o - 0 5 o - - 0 4 - - o 0 4 - o - 0 3 - - o 0 3 o - - 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 4 o o o 1 3 o o o 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
Ru4CuAs crystallizes in the trigonal R3m space group. There are two inequivalent Ru sites. In the first Ru site, Ru(2) is bonded in a 9-coordinate geometry to three equivalent Ru(1), three equivalent Cu(1), and three equivalent As(1) atoms. All Ru(2)-Ru(1) bond lengths are 1.68 Å. All Ru(2)-Cu(1) bond lengths are 3.01 Å. All Ru(2)-As(1) bond lengths are 3.01 Å. In the second Ru site, Ru(1) is bonded in a 2-coordinate geometry to one Ru(2), two equivalent Ru(1), two equivalent Cu(1), and two equivalent As(1) atoms. Both Ru(1)-Ru(1) bond lengths are 0.97 Å. Both Ru(1)-Cu(1) bond lengths are 2.90 Å. There is one shorter (2.08 Å) and one longer (3.24 Å) Ru(1)-As(1) bond length. Cu(1) is bonded in a 12-coordinate geometry to three equivalent Ru(2), six equivalent Ru(1), and three equivalent As(1) atoms. All Cu(1)-As(1) bond lengths are 3.18 Å. As(1) is bonded in a 12-coordinate geometry to three equivalent Ru(2), six equivalent Ru(1), and three equivalent Cu(1) atoms.