data_PPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPd3
_chemical_formula_sum   'P2 Pd6'
_cell_volume   122.15
_cell_formula_units_Z   2
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
  P  P0  1  0.48  0.48  0.48  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.24  0.0  0.48  1.0
  Pd  Pd3  1  0.72  0.0  0.48  1.0
  Pd  Pd4  1  0.48  0.24  0.0  1.0
  Pd  Pd5  1  0.48  0.72  0.0  1.0
  Pd  Pd6  1  0.0  0.48  0.72  1.0
  Pd  Pd7  1  0.0  0.48  0.24  1.0

data_PPd3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   PPd3
_chemical_formula_sum   'P6 Pd18'
_cell_volume   366.46
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  P  P0  3  0.0  0.0  0.0  1.0
  P  P1  3  0.0  0.0  0.48  1.0
  Pd  Pd2  9  0.0  0.76  0.24  1.0
  Pd  Pd3  9  0.08  0.4  0.4  1.0

P P Pd Pd Pd Pd Pd Pd
P P Pd Pd Pd Pd Pd Pd 0 2 o o o 0 2 o + o 0 7 o o o 0 7 + o o 0 6 o o o 0 6 + o o 0 4 o o o 0 4 o o + 0 3 o o o 0 3 o + o 0 5 o o o 0 5 o o + 1 5 - - o 1 5 o - o 1 3 - o - 1 3 - o o 1 4 - o o 1 4 o o o 1 6 o - - 1 6 o o - 1 7 o - o 1 7 o o o 1 2 o o - 1 2 o o o 2 7 o - o 2 7 o o o 2 6 o - o 2 6 o o o 2 3 - o o 2 3 o o o 2 5 o - o 2 5 o - + 2 4 o o o 2 4 o o + 3 5 o - o 3 5 o - + 3 4 o o o 3 4 o o + 3 7 + - o 3 7 + o o 3 6 + - o 3 6 + o o 4 6 o o - 4 6 + o - 4 7 o o o 4 7 + o o 4 5 o - o 4 5 o o o 5 6 o o - 5 6 + o - 5 7 o o o 5 7 + o o 6 7 o o o 6 7 o o + 
Pd3P is beta Uranium-derived structured and crystallizes in the trigonal R3 space group. There are ten inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 14-coordinate geometry to four Pd(1,1,1,1); six Pd(2,2,2); two P(1,1); and two equivalent P(2) atoms. There are two shorter (2.92 Å) and two longer (3.08 Å) Pd(1)-Pd(1,1,1,1) bond lengths. There are a spread of Pd(1)-Pd(2,2,2) bond distances ranging from 2.39-3.16 Å. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(2) bond length. In the second Pd site, Pd(2) is bonded in a 14-coordinate geometry to four equivalent Pd(2); six Pd(1,1,1,1,1); two P(1,1); and two equivalent P(2) atoms. There are two shorter (3.00 Å) and two longer (3.16 Å) Pd(2)-Pd(2) bond lengths. There are a spread of Pd(2)-Pd(1,1,1,1) bond distances ranging from 2.58-3.16 Å. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(2)-P(1,1) bond length. There is one shorter (2.76 Å) and one longer (2.92 Å) Pd(2)-P(2) bond length. In the third Pd site, Pd(2) is bonded in a 14-coordinate geometry to four Pd(2,2); six Pd(1,1,1,1,1); two P(1,1); and two equivalent P(2) atoms. The Pd(2)-Pd(2) bond length is 3.16 Å. There are a spread of Pd(2)-Pd(1,1,1,1) bond distances ranging from 2.58-3.08 Å. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(2)-P(1,1) bond length. There is one shorter (2.76 Å) and one longer (2.92 Å) Pd(2)-P(2) bond length. In the fourth Pd site, Pd(1) is bonded in a 14-coordinate geometry to four Pd(1,1); six Pd(2,2,2); two P(1,1); and two equivalent P(2) atoms. Both Pd(1)-Pd(1) bond lengths are 3.08 Å. The Pd(1)-Pd(2) bond length is 3.00 Å. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(2) bond length. In the fifth Pd site, Pd(1) is bonded in a 14-coordinate geometry to four Pd(1,1,1,1); six Pd(2,2); two P(1,1); and two equivalent P(2) atoms. There are two shorter (2.92 Å) and one longer (3.08 Å) Pd(1)-Pd(1,1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(2) bond length. In the sixth Pd site, Pd(1) is bonded in a 14-coordinate geometry to four Pd(1,1,1,1); six Pd(2,2); two P(1,1); and two equivalent P(2) atoms. There is one shorter (2.92 Å) and one longer (3.08 Å) Pd(1)-Pd(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(2) bond length. In the seventh Pd site, Pd(1) is bonded in a 14-coordinate geometry to four Pd(1,1,1,1); six Pd(2,2); two P(1,1); and two equivalent P(2) atoms. Both Pd(1)-Pd(1,1) bond lengths are 3.08 Å. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(2) bond length. In the eighth Pd site, Pd(1) is bonded in a 14-coordinate geometry to four Pd(1,1,1,1); six Pd(2,2,2); two P(1,1); and two equivalent P(2) atoms. There are two shorter (2.92 Å) and one longer (3.08 Å) Pd(1)-Pd(1,1,1) bond length. There are a spread of Pd(1)-Pd(2,2,2) bond distances ranging from 2.39-3.16 Å. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(2) bond length. In the ninth Pd site, Pd(2) is bonded in a 14-coordinate geometry to four Pd(2,2); six Pd(1,1,1,1,1); two P(1,1); and two equivalent P(2) atoms. There are two shorter (3.00 Å) and two longer (3.16 Å) Pd(2)-Pd(2,2) bond lengths. There is one shorter (2.92 Å) and one longer (3.16 Å) Pd(2)-Pd(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(2)-P(1,1) bond length. There is one shorter (2.76 Å) and one longer (2.92 Å) Pd(2)-P(2) bond length. In the tenth Pd site, Pd(1) is bonded in a 14-coordinate geometry to four Pd(1,1,1,1); six Pd(2,2,2); two P(1,1); and two equivalent P(2) atoms. The Pd(1)-Pd(1) bond length is 2.92 Å. There are a spread of Pd(1)-Pd(2,2) bond distances ranging from 2.39-3.08 Å. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(1,1) bond length. There is one shorter (2.67 Å) and one longer (2.84 Å) Pd(1)-P(2) bond length. There are four inequivalent P sites. In the first P site, P(1) is bonded to six Pd(1,1,1,1,1) and six Pd(2,2) atoms to form a mixture of edge and face-sharing PPd12 cuboctahedra. In the second P site, P(2) is bonded to six Pd(1,1,1,1,1) and six Pd(2,2,2) atoms to form a mixture of edge and face-sharing PPd12 cuboctahedra. In the third P site, P(1) is bonded to six Pd(1,1,1,1,1) and six Pd(2,2,2) atoms to form a mixture of edge and face-sharing PPd12 cuboctahedra. There are three shorter (2.67 Å) and two longer (2.84 Å) P(1)-Pd(2,2) bond lengths. In the fourth P site, P(1) is bonded to six Pd(1,1,1,1,1) and six Pd(2,2,2) atoms to form a mixture of edge and face-sharing PPd12 cuboctahedra. The P(1)-Pd(1) bond length is 2.67 Å.