data_SrPPd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPPd4
_chemical_formula_sum   'Sr1 P1 Pd4'
_cell_volume   112.39
_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
  Sr  Sr5  1  0.75  0.75  0.75  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.79  0.79  0.87  1.0
  Pd  Pd2  1  0.79  0.87  0.79  1.0
  Pd  Pd3  1  0.87  0.79  0.79  1.0
  Pd  Pd4  1  0.87  0.87  0.87  1.0

data_SrPPd4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   13.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrPPd4
_chemical_formula_sum   'Sr3 P3 Pd12'
_cell_volume   337.16
_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
  Sr  Sr0  3  0.0  0.0  0.25  1.0
  P  P1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  9  0.02  0.05  0.18  1.0
  Pd  Pd3  3  0.0  0.0  0.13  1.0

Sr P Pd Pd Pd Pd
Sr P Pd Pd Pd Pd 0 4 o o o 0 3 o o o 0 2 o o o 1 5 - - - 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
SrPd4P crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent P(1) atoms. All Sr(1)-Pd(1) bond lengths are 0.99 Å. All Sr(1)-P(1) bond lengths are 3.30 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a 4-coordinate geometry to three equivalent Pd(1) and one P(1) atom. All Pd(2)-Pd(1) bond lengths are 0.68 Å. The Pd(2)-P(1) bond length is 1.77 Å. In the second Pd site, Pd(1) is bonded in a 3-coordinate geometry to one Sr(1), one Pd(2), and two equivalent Pd(1) atoms. Both Pd(1)-Pd(1) bond lengths are 0.39 Å. P(1) is bonded to three equivalent Sr(1) and one Pd(2) atom to form corner-sharing PSr3Pd tetrahedra.