data_BiPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPdRu
_chemical_formula_sum   'Bi1 Pd1 Ru1'
_cell_volume   61.85
_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
  Bi  Bi0  1  0.57  0.57  0.57  1.0
  Pd  Pd1  1  0.14  0.14  0.14  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_BiPdRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiPdRu
_chemical_formula_sum   'Bi3 Pd3 Ru3'
_cell_volume   185.56
_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
  Bi  Bi0  3  0.0  0.0  0.43  1.0
  Ru  Ru1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.86  1.0

Bi Pd Ru
Bi Pd Ru 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o + + 0 2 + o + 0 2 + + o 1 2 o o o 
RuPdBi crystallizes in the trigonal R3m space group. Ru(1) is bonded to one Pd(1) and three equivalent Bi(1) atoms to form distorted RuBi3Pd tetrahedra that share corners with three equivalent Pd(1)Bi3Ru tetrahedra, corners with six equivalent Ru(1)Bi3Pd tetrahedra, and edges with three equivalent Pd(1)Bi3Ru tetrahedra. The Ru(1)-Pd(1) bond length is 1.51 Å. All Ru(1)-Bi(1) bond lengths are 2.77 Å. Pd(1) is bonded to one Ru(1) and three equivalent Bi(1) atoms to form distorted PdBi3Ru tetrahedra that share corners with three equivalent Ru(1)Bi3Pd tetrahedra, corners with six equivalent Pd(1)Bi3Ru tetrahedra, and edges with three equivalent Ru(1)Bi3Pd tetrahedra. All Pd(1)-Bi(1) bond lengths are 2.77 Å. Bi(1) is bonded in a 6-coordinate geometry to three equivalent Ru(1) and three equivalent Pd(1) atoms.