data_BPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   3.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPPd
_chemical_formula_sum   'B1 P1 Pd1'
_cell_volume   38.2
_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
  B  B0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.01  0.01  0.01  1.0
  Pd  Pd2  1  0.34  0.34  0.34  1.0

data_BPPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BPPd
_chemical_formula_sum   'B3 P3 Pd3'
_cell_volume   114.6
_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
  B  B0  3  0.0  0.0  0.0  1.0
  P  P1  3  0.0  0.0  0.99  1.0
  Pd  Pd2  3  0.0  0.0  0.66  1.0

B P Pd
B P Pd 0 1 o o o 0 2 o o - 0 2 o - o 0 2 - o o 1 2 o o - 1 2 o - o 1 2 - o o 
PdBP crystallizes in the trigonal R3m space group. Pd(1) is bonded to three equivalent B(1) and four equivalent P(1) atoms to form a mixture of edge and corner-sharing PdB3P4 hexagonal pyramids. All Pd(1)-B(1) bond lengths are 2.18 Å. There are three shorter (2.18 Å) and one longer (3.03 Å) Pd(1)-P(1) bond length. B(1) is bonded in a single-bond geometry to three equivalent Pd(1) and one P(1) atom. The B(1)-P(1) bond length is 0.09 Å. P(1) is bonded in a single-bond geometry to four equivalent Pd(1) and one B(1) atom.