data_ReP4Pd
_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   ReP4Pd
_chemical_formula_sum   'Re1 P4 Pd1'
_cell_volume   85.09
_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
  Re  Re5  1  0.75  0.75  0.75  1.0
  P  P0  1  0.62  0.62  0.36  1.0
  P  P1  1  0.62  0.36  0.62  1.0
  P  P2  1  0.36  0.62  0.62  1.0
  P  P3  1  0.36  0.36  0.36  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

data_ReP4Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   12.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReP4Pd
_chemical_formula_sum   'Re3 P12 Pd3'
_cell_volume   255.28
_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
  Re  Re0  3  0.0  0.0  0.25  1.0
  P  P1  9  0.18  0.09  0.46  1.0
  P  P2  3  0.0  0.0  0.64  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

Re P P P P Pd
Re P P P P Pd 0 3 o o o 0 3 + o o 0 2 o o o 0 2 o + o 0 1 o o o 0 1 o o + 0 4 o o + 0 4 o + o 0 4 + o o 0 5 o + + 0 5 + o + 0 5 + + o 0 5 + + + 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + + o 2 3 o o o 2 4 o o o 2 5 + o + 3 4 o o o 3 5 o + + 4 5 + o o 4 5 o + o 4 5 o o + 
RePdP4 crystallizes in the trigonal R3m space group. Re(1) is bonded in a 3-coordinate geometry to four equivalent Pd(1), three equivalent P(2), and six equivalent P(1) atoms. There are three shorter (3.01 Å) and one longer (3.08 Å) Re(1)-Pd(1) bond length. All Re(1)-P(2) bond lengths are 2.92 Å. There are three shorter (2.57 Å) and three longer (2.65 Å) Re(1)-P(1) bond lengths. Pd(1) is bonded in a 10-coordinate geometry to four equivalent Re(1), three equivalent P(1), and three equivalent P(2) atoms. All Pd(1)-P(1) bond lengths are 2.63 Å. All Pd(1)-P(2) bond lengths are 2.87 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Re(1), one Pd(1), one P(2), and two equivalent P(1) atoms. The P(1)-P(2) bond length is 2.27 Å. Both P(1)-P(1) bond lengths are 1.31 Å. In the second P site, P(2) is bonded in a distorted q6 geometry to three equivalent Re(1), three equivalent Pd(1), and three equivalent P(1) atoms.