data_P4PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4PdPt
_chemical_formula_sum   'P4 Pd1 Pt1'
_cell_volume   91.74
_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
  P  P0  1  0.63  0.63  0.53  1.0
  P  P1  1  0.63  0.53  0.63  1.0
  P  P2  1  0.53  0.63  0.63  1.0
  P  P3  1  0.53  0.53  0.53  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.79  0.79  0.79  1.0

data_P4PdPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   P4PdPt
_chemical_formula_sum   'P12 Pd3 Pt3'
_cell_volume   275.21
_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
  P  P0  9  0.07  0.03  0.4  1.0
  P  P1  3  0.0  0.0  0.47  1.0
  Pd  Pd2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.21  1.0

P P P P Pd Pt
PtPdP4 crystallizes in the trigonal R3m space group. Pt(1) is bonded in a 1-coordinate geometry to four equivalent Pd(1) atoms. There is one shorter (2.61 Å) and three longer (3.30 Å) Pt(1)-Pd(1) bond lengths. Pd(1) is bonded in a 7-coordinate geometry to four equivalent Pt(1) and three equivalent P(1) atoms. All Pd(1)-P(1) bond lengths are 2.77 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Pd(1), one P(2), and two equivalent P(1) atoms. The P(1)-P(2) bond length is 0.87 Å. Both P(1)-P(1) bond lengths are 0.50 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms.