data_Re2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05
_cell_length_b   8.05
_cell_length_c   8.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Pd
_chemical_formula_sum   'Re16 Pd8'
_cell_volume   369.07
_cell_formula_units_Z   8
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
  Re  Re8  1  0.42  0.27  0.27  1.0
  Re  Re9  1  0.27  0.42  0.27  1.0
  Re  Re10  1  0.27  0.27  0.42  1.0
  Re  Re11  1  0.42  0.42  0.42  1.0
  Re  Re12  1  0.69  0.69  0.74  1.0
  Re  Re13  1  0.69  0.74  0.69  1.0
  Re  Re14  1  0.74  0.69  0.69  1.0
  Re  Re15  1  0.65  0.69  0.69  1.0
  Re  Re16  1  0.69  0.65  0.69  1.0
  Re  Re17  1  0.69  0.69  0.65  1.0
  Re  Re18  1  0.54  0.54  0.5  1.0
  Re  Re19  1  0.54  0.5  0.54  1.0
  Re  Re20  1  0.5  0.54  0.54  1.0
  Re  Re21  1  0.58  0.54  0.54  1.0
  Re  Re22  1  0.54  0.58  0.54  1.0
  Re  Re23  1  0.54  0.54  0.58  1.0
  Pd  Pd0  1  0.38  0.38  0.38  1.0
  Pd  Pd1  1  0.7  0.7  0.38  1.0
  Pd  Pd2  1  0.7  0.38  0.7  1.0
  Pd  Pd3  1  0.38  0.7  0.7  1.0
  Pd  Pd4  1  0.85  0.85  0.85  1.0
  Pd  Pd5  1  0.54  0.54  0.85  1.0
  Pd  Pd6  1  0.54  0.85  0.54  1.0
  Pd  Pd7  1  0.85  0.54  0.54  1.0

data_Re2Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.05
_cell_length_b   8.05
_cell_length_c   19.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re2Pd
_chemical_formula_sum   'Re48 Pd24'
_cell_volume   1107.21
_cell_formula_units_Z   24
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
  Re  Re0  9  0.01  0.03  0.45  1.0
  Re  Re1  9  0.01  0.03  0.29  1.0
  Re  Re2  9  0.03  0.01  0.32  1.0
  Re  Re3  9  0.03  0.01  0.47  1.0
  Re  Re4  9  0.05  0.1  0.68  1.0
  Re  Re5  3  0.0  0.0  0.58  1.0
  Pd  Pd6  9  0.1  0.21  0.36  1.0
  Pd  Pd7  9  0.21  0.1  0.41  1.0
  Pd  Pd8  3  0.0  0.0  0.15  1.0
  Pd  Pd9  3  0.0  0.0  0.62  1.0

Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Pd Pd Pd Pd Pd Pd Pd Pd
Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Pd Pd Pd Pd Pd Pd Pd Pd 0 16 o o o 0 2 o o o 0 1 o o o 1 2 o o o 1 16 o o o 2 16 o o o 3 16 o o o 4 6 o o o 4 5 o o o 4 20 o o o 4 21 o o o 5 6 o o o 5 20 o o o 5 22 o o o 6 20 o o o 6 23 o o o 7 8 o o o 7 9 o o o 7 20 o o o 7 21 o o o 7 22 o o o 7 23 o o o 8 9 o o o 8 20 o o o 8 21 o o o 8 22 o o o 8 23 o o o 9 20 o o o 9 21 o o o 9 22 o o o 9 23 o o o 10 11 o o o 10 12 o o o 10 17 o o o 11 12 o o o 11 18 o o o 12 19 o o o 13 15 o o o 13 14 o o o 13 17 o o o 13 18 o o o 13 19 o o o 14 15 o o o 14 17 o o o 14 18 o o o 14 19 o o o 15 17 o o o 15 18 o o o 15 19 o o o 17 22 o o o 17 23 o o o 18 21 o o o 18 23 o o o 19 21 o o o 19 22 o o o 
Re2Pd crystallizes in the trigonal R3m space group. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to two equivalent Re(1), one Pd(1), and two equivalent Pd(4) atoms. Both Re(1)-Re(1) bond lengths are 1.23 Å. The Re(1)-Pd(1) bond length is 1.42 Å. Both Re(1)-Pd(4) bond lengths are 2.91 Å. In the second Re site, Re(2) is bonded in a single-bond geometry to one Pd(1) atom. The Re(2)-Pd(1) bond length is 0.79 Å. In the third Re site, Re(3) is bonded in a 4-coordinate geometry to two equivalent Re(3), two equivalent Re(4), and one Pd(3) atom. Both Re(3)-Re(3) bond lengths are 0.35 Å. Both Re(3)-Re(4) bond lengths are 0.60 Å. The Re(3)-Pd(3) bond length is 2.82 Å. In the fourth Re site, Re(4) is bonded in a 2-coordinate geometry to two equivalent Re(3), two equivalent Re(4), and two equivalent Pd(4) atoms. Both Re(4)-Re(4) bond lengths are 0.35 Å. Both Re(4)-Pd(4) bond lengths are 1.56 Å. In the fifth Re site, Re(5) is bonded in a 4-coordinate geometry to two equivalent Re(5) and two equivalent Re(6) atoms. Both Re(5)-Re(5) bond lengths are 0.35 Å. Both Re(5)-Re(6) bond lengths are 0.60 Å. In the sixth Re site, Re(6) is bonded in a 2-coordinate geometry to two equivalent Re(5), two equivalent Re(6), and two equivalent Pd(2) atoms. Both Re(6)-Re(6) bond lengths are 0.35 Å. Both Re(6)-Pd(2) bond lengths are 1.56 Å. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to one Re(2) and three equivalent Re(1) atoms. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to two equivalent Re(6), one Pd(3), and two equivalent Pd(4) atoms. The Pd(2)-Pd(3) bond length is 3.52 Å. Both Pd(2)-Pd(4) bond lengths are 1.75 Å. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to three equivalent Re(3) and three equivalent Pd(2) atoms. In the fourth Pd site, Pd(4) is bonded in a 2-coordinate geometry to two equivalent Re(1), two equivalent Re(4), and two equivalent Pd(2) atoms.