data_BaAlPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlPdRu
_chemical_formula_sum   'Ba1 Al1 Pd1 Ru1'
_cell_volume   85.17
_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
  Ba  Ba1  1  0.24  0.24  0.24  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.49  0.49  0.49  1.0
  Ru  Ru3  1  0.75  0.75  0.75  1.0

data_BaAlPdRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   12.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaAlPdRu
_chemical_formula_sum   'Ba3 Al3 Pd3 Ru3'
_cell_volume   255.51
_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
  Ba  Ba0  3  0.0  0.0  0.76  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  Ru  Ru2  3  0.0  0.0  0.25  1.0
  Pd  Pd3  3  0.0  0.0  0.51  1.0

Ba Al Pd Ru
BaRuPdAl crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ru(1), four equivalent Pd(1), and four equivalent Al(1) atoms. There are three shorter (3.44 Å) and three longer (3.55 Å) Ba(1)-Ru(1) bond lengths. There are three shorter (3.01 Å) and one longer (3.07 Å) Ba(1)-Pd(1) bond length. There is one shorter (2.88 Å) and three longer (3.08 Å) Ba(1)-Al(1) bond lengths. Ru(1) is bonded to six equivalent Ba(1), four equivalent Pd(1), and four equivalent Al(1) atoms to form distorted RuBa6Al4Pd4 tetrahedra that share corners with six equivalent Ru(1)Ba6Al4Pd4 tetrahedra, corners with twelve equivalent Pd(1)Ba4Ru4 tetrahedra, faces with four equivalent Pd(1)Ba4Ru4 tetrahedra, and faces with twelve equivalent Ru(1)Ba6Al4Pd4 tetrahedra. There are three shorter (3.01 Å) and one longer (3.07 Å) Ru(1)-Pd(1) bond length. There are three shorter (3.01 Å) and one longer (3.07 Å) Ru(1)-Al(1) bond length. Pd(1) is bonded to four equivalent Ba(1) and four equivalent Ru(1) atoms to form distorted PdBa4Ru4 tetrahedra that share corners with twelve equivalent Ru(1)Ba6Al4Pd4 tetrahedra, edges with twelve equivalent Pd(1)Ba4Ru4 tetrahedra, and faces with four equivalent Ru(1)Ba6Al4Pd4 tetrahedra. Al(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Ru(1) atoms.