data_BiPd3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPd3Ru
_chemical_formula_sum   'Bi1 Pd3 Ru1'
_cell_volume   124.7
_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  Bi1  1  0.5  0.5  0.5  1.0
  Pd  Pd2  1  0.5  0.0  0.5  1.0
  Pd  Pd3  1  0.5  0.5  0.0  1.0
  Pd  Pd4  1  0.0  0.5  0.5  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_BiPd3Ru
_symmetry_space_group_name_H-M   Pm-3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   221
_chemical_formula_structural   BiPd3Ru
_chemical_formula_sum   'Bi1 Pd3 Ru1'
_cell_volume   124.7
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
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  0.0  0.0  0.0  1.0
  Pd  Pd1  3  0.0  0.0  0.5  1.0
  Ru  Ru2  1  0.5  0.5  0.5  1.0

Bi Pd Pd Pd Ru
RuPd3Bi is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Ru(1) is bonded to twelve equivalent Pd(1) atoms to form RuPd12 cuboctahedra that share corners with twelve equivalent Ru(1)Pd12 cuboctahedra, faces with six equivalent Ru(1)Pd12 cuboctahedra, and faces with eight equivalent Bi(1)Pd6 octahedra. There are a spread of Ru(1)-Pd(1) bond distances ranging from 3.52-3.55 Å. Pd(1) is bonded in a linear geometry to four equivalent Ru(1) and two equivalent Bi(1) atoms. There is one shorter (2.49 Å) and one longer (2.51 Å) Pd(1)-Bi(1) bond length. Bi(1) is bonded to six equivalent Pd(1) atoms to form BiPd6 octahedra that share corners with six equivalent Bi(1)Pd6 octahedra and faces with eight equivalent Ru(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted.