data_ZnRuRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnRuRh4
_chemical_formula_sum   'Zn1 Ru1 Rh4'
_cell_volume   92.66
_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  Zn5  1  0.0  0.0  0.0  1.0
  Ru  Ru4  1  0.39  0.39  0.39  1.0
  Rh  Rh0  1  0.49  0.49  0.69  1.0
  Rh  Rh1  1  0.49  0.69  0.49  1.0
  Rh  Rh2  1  0.69  0.49  0.49  1.0
  Rh  Rh3  1  0.69  0.69  0.69  1.0

data_ZnRuRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnRuRh4
_chemical_formula_sum   'Zn3 Ru3 Rh12'
_cell_volume   277.99
_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
  Zn  Zn0  3  0.0  0.0  0.0  1.0
  Ru  Ru1  3  0.0  0.0  0.61  1.0
  Rh  Rh2  9  0.07  0.14  0.44  1.0
  Rh  Rh3  3  0.0  0.0  0.31  1.0

Zn Ru Rh Rh Rh Rh
RuRh4Zn crystallizes in the trigonal R3m space group. Ru(1) is bonded to three equivalent Rh(2), six equivalent Rh(1), and three equivalent Zn(1) atoms to form distorted RuZn3Rh9 cuboctahedra that share corners with three equivalent Zn(1)Ru3Rh9 cuboctahedra, corners with six equivalent Ru(1)Zn3Rh9 cuboctahedra, edges with three equivalent Zn(1)Ru3Rh9 cuboctahedra, edges with six equivalent Ru(1)Zn3Rh9 cuboctahedra, and faces with three equivalent Zn(1)Ru3Rh9 cuboctahedra. All Ru(1)-Rh(2) bond lengths are 2.95 Å. There are three shorter (2.20 Å) and three longer (3.09 Å) Ru(1)-Rh(1) bond lengths. All Ru(1)-Zn(1) bond lengths are 3.01 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Ru(1), three equivalent Rh(1), and three equivalent Zn(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.78 Å. All Rh(2)-Zn(1) bond lengths are 2.95 Å. In the second Rh site, Rh(1) is bonded in a 2-coordinate geometry to two equivalent Ru(1), one Rh(2), two equivalent Rh(1), and two equivalent Zn(1) atoms. Both Rh(1)-Rh(1) bond lengths are 1.03 Å. Both Rh(1)-Zn(1) bond lengths are 3.01 Å. Zn(1) is bonded to three equivalent Ru(1), three equivalent Rh(2), and six equivalent Rh(1) atoms to form ZnRu3Rh9 cuboctahedra that share corners with three equivalent Ru(1)Zn3Rh9 cuboctahedra, edges with three equivalent Ru(1)Zn3Rh9 cuboctahedra, faces with three equivalent Ru(1)Zn3Rh9 cuboctahedra, and faces with six equivalent Zn(1)Ru3Rh9 cuboctahedra.