data_Bi4PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi4PPd
_chemical_formula_sum   'Bi4 P1 Pd1'
_cell_volume   179.44
_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
  Bi  Bi0  1  0.36  0.36  0.59  1.0
  Bi  Bi1  1  0.36  0.59  0.36  1.0
  Bi  Bi2  1  0.59  0.36  0.36  1.0
  Bi  Bi3  1  0.59  0.59  0.59  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  Pd  Pd5  1  0.24  0.24  0.24  1.0

data_Bi4PPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   15.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Bi4PPd
_chemical_formula_sum   'Bi12 P3 Pd3'
_cell_volume   538.32
_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
  Bi  Bi0  9  0.08  0.15  0.56  1.0
  Bi  Bi1  3  0.0  0.0  0.41  1.0
  P  P2  3  0.0  0.0  0.0  1.0
  Pd  Pd3  3  0.0  0.0  0.76  1.0

Bi Bi Bi Bi P Pd
Bi Bi Bi Bi P Pd 0 2 o o o 0 1 o o o 0 3 o o o 0 4 o o + 0 5 o o + 0 5 o o o 1 2 o o o 1 3 o o o 1 4 o + o 1 5 o + o 1 5 o o o 2 3 o o o 2 4 + o o 2 5 + o o 2 5 o o o 3 4 + + o 3 4 + o + 3 4 o + + 3 5 + o o 3 5 o + o 3 5 o o + 4 5 o - o 4 5 - o o 4 5 o o - 4 5 o o o 
PdBi4P crystallizes in the trigonal R3m space group. Pd(1) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. There are three shorter (3.21 Å) and three longer (3.49 Å) Pd(1)-Bi(1) bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to two equivalent Pd(1), one Bi(2), two equivalent Bi(1), and one P(1) atom. The Bi(1)-Bi(2) bond length is 2.54 Å. Both Bi(1)-Bi(1) bond lengths are 1.47 Å. The Bi(1)-P(1) bond length is 3.24 Å. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to three equivalent Bi(1) atoms. P(1) is bonded in a 3-coordinate geometry to three equivalent Bi(1) atoms.