data_Ta4OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4OsPd
_chemical_formula_sum   'Ta4 Os1 Pd1'
_cell_volume   106.03
_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  Ta2  1  0.83  0.69  0.83  1.0
  Ta  Ta3  1  0.69  0.83  0.83  1.0
  Ta  Ta4  1  0.69  0.69  0.69  1.0
  Ta  Ta5  1  0.83  0.83  0.69  1.0
  Os  Os0  1  0.88  0.88  0.88  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0

data_Ta4OsPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   13.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta4OsPd
_chemical_formula_sum   'Ta12 Os3 Pd3'
_cell_volume   318.08
_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  9  0.09  0.05  0.22  1.0
  Ta  Ta1  3  0.0  0.0  0.31  1.0
  Pd  Pd2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.12  1.0

Ta Ta Ta Ta Os Pd
Ta Ta Ta Ta Os Pd 0 1 o o o 0 3 o o o 0 2 o o o 0 4 o o o 1 3 o o o 1 2 o o o 1 4 o o o 2 3 o o o 3 4 o o o 4 5 + + + 
Ta4OsPd crystallizes in the trigonal R3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted pentagonal planar geometry to one Ta(2), two equivalent Ta(1), one Os(1), and one Pd(1) atom. The Ta(1)-Ta(2) bond length is 1.27 Å. Both Ta(1)-Ta(1) bond lengths are 0.73 Å. The Ta(1)-Os(1) bond length is 1.35 Å. The Ta(1)-Pd(1) bond length is 3.03 Å. In the second Ta site, Ta(2) is bonded in a 9-coordinate geometry to three equivalent Ta(1), three equivalent Os(1), and three equivalent Pd(1) atoms. All Ta(2)-Os(1) bond lengths are 3.59 Å. All Ta(2)-Pd(1) bond lengths are 3.08 Å. Os(1) is bonded in a 4-coordinate geometry to three equivalent Ta(1), three equivalent Ta(2), and one Pd(1) atom. The Os(1)-Pd(1) bond length is 1.58 Å. Pd(1) is bonded in a 7-coordinate geometry to three equivalent Ta(1), three equivalent Ta(2), and one Os(1) atom.