data_AsPd4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPd4Ru
_chemical_formula_sum   'As1 Pd4 Ru1'
_cell_volume   100.16
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.6  0.6  0.77  1.0
  Pd  Pd2  1  0.6  0.77  0.6  1.0
  Pd  Pd3  1  0.77  0.6  0.6  1.0
  Pd  Pd4  1  0.77  0.77  0.77  1.0
  Ru  Ru5  1  0.53  0.53  0.53  1.0

data_AsPd4Ru
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AsPd4Ru
_chemical_formula_sum   'As3 Pd12 Ru3'
_cell_volume   300.49
_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
  As  As0  3  0.0  0.0  0.0  1.0
  Pd  Pd1  9  0.05  0.11  0.34  1.0
  Pd  Pd2  3  0.0  0.0  0.23  1.0
  Ru  Ru3  3  0.0  0.0  0.47  1.0

As Pd Pd Pd Pd Ru
RuPd4As crystallizes in the trigonal R3m space group. Ru(1) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms. All Ru(1)-Pd(1) bond lengths are 1.73 Å. All Ru(1)-Pd(2) bond lengths are 3.25 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to one Ru(1), one Pd(2), two equivalent Pd(1), and two equivalent As(1) atoms. The Pd(1)-Pd(2) bond length is 1.46 Å. Both Pd(1)-Pd(1) bond lengths are 0.85 Å. Both Pd(1)-As(1) bond lengths are 2.80 Å. In the second Pd site, Pd(2) is bonded in a 7-coordinate geometry to three equivalent Ru(1), three equivalent Pd(1), and one As(1) atom. The Pd(2)-As(1) bond length is 2.97 Å. As(1) is bonded to one Pd(2) and six equivalent Pd(1) atoms to form distorted corner-sharing AsPd7 hexagonal pyramids.