data_TaIrPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIrPdRu
_chemical_formula_sum   'Ta1 Ir1 Pd1 Ru1'
_cell_volume   62.88
_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
  Ta  Ta3  1  0.16  0.16  0.16  1.0
  Ir  Ir0  1  0.73  0.73  0.73  1.0
  Pd  Pd1  1  0.58  0.58  0.58  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TaIrPdRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaIrPdRu
_chemical_formula_sum   'Ta3 Ir3 Pd3 Ru3'
_cell_volume   188.65
_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
  Ta  Ta0  3  0.0  0.0  0.84  1.0
  Ru  Ru1  3  0.0  0.0  0.0  1.0
  Ir  Ir2  3  0.0  0.0  0.27  1.0
  Pd  Pd3  3  0.0  0.0  0.42  1.0

Ta Ir Pd Ru
Ta Ir Pd Ru 0 3 o o o 1 2 o o o 
TaRuIrPd crystallizes in the trigonal R3m space group. Ta(1) is bonded in a distorted single-bond geometry to one Ru(1), three equivalent Ir(1), and three equivalent Pd(1) atoms. The Ta(1)-Ru(1) bond length is 1.71 Å. All Ta(1)-Ir(1) bond lengths are 2.75 Å. All Ta(1)-Pd(1) bond lengths are 2.75 Å. Ru(1) is bonded in a single-bond geometry to one Ta(1) atom. Ir(1) is bonded to three equivalent Ta(1) and one Pd(1) atom to form distorted IrTa3Pd tetrahedra that share corners with three equivalent Pd(1)Ta3Ir tetrahedra, corners with six equivalent Ir(1)Ta3Pd tetrahedra, and edges with three equivalent Pd(1)Ta3Ir tetrahedra. The Ir(1)-Pd(1) bond length is 1.71 Å. Pd(1) is bonded to three equivalent Ta(1) and one Ir(1) atom to form distorted PdTa3Ir tetrahedra that share corners with three equivalent Ir(1)Ta3Pd tetrahedra, corners with six equivalent Pd(1)Ta3Ir tetrahedra, and edges with three equivalent Ir(1)Ta3Pd tetrahedra.