data_Pd3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   13.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pt
_chemical_formula_sum   'Pd18 Pt6'
_cell_volume   370.45
_cell_formula_units_Z   6
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
  Pd  Pd0  1  0.17  0.41  0.32  1.0
  Pd  Pd1  1  0.62  0.42  0.44  1.0
  Pd  Pd2  1  0.0  0.61  0.61  1.0
  Pd  Pd3  1  0.0  0.61  0.03  1.0
  Pd  Pd4  1  0.61  0.02  0.61  1.0
  Pd  Pd5  1  0.61  0.02  0.03  1.0
  Pd  Pd6  1  0.39  0.8  0.15  1.0
  Pd  Pd7  1  0.39  0.8  0.73  1.0
  Pd  Pd8  1  0.79  0.01  0.32  1.0
  Pd  Pd9  1  0.0  0.82  0.44  1.0
  Pd  Pd10  1  0.4  0.41  0.32  1.0
  Pd  Pd11  1  0.38  0.42  0.44  1.0
  Pd  Pd12  1  0.39  0.02  0.61  1.0
  Pd  Pd13  1  0.39  0.02  0.03  1.0
  Pd  Pd14  1  0.18  0.8  0.15  1.0
  Pd  Pd15  1  0.18  0.8  0.73  1.0
  Pd  Pd16  1  0.79  0.22  0.15  1.0
  Pd  Pd17  1  0.79  0.22  0.73  1.0
  Pt  Pt18  1  0.0  0.0  0.32  1.0
  Pt  Pt19  1  0.0  0.0  0.44  1.0
  Pt  Pt20  1  0.0  0.22  0.12  1.0
  Pt  Pt21  1  0.0  0.22  0.76  1.0
  Pt  Pt22  1  0.79  0.61  0.63  1.0
  Pt  Pt23  1  0.79  0.61  0.0  1.0

data_Pd3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   13.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pt
_chemical_formula_sum   'Pd18 Pt6'
_cell_volume   370.45
_cell_formula_units_Z   6
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
  Pd  Pd0  1  -0.0  0.82  0.44  1.0
  Pd  Pd1  1  -0.0  0.61  0.03  1.0
  Pd  Pd2  1  -0.0  0.61  0.61  1.0
  Pd  Pd3  1  0.17  0.41  0.32  1.0
  Pd  Pd4  1  0.18  0.8  0.15  1.0
  Pd  Pd5  1  0.18  0.8  0.73  1.0
  Pd  Pd6  1  0.38  0.42  0.44  1.0
  Pd  Pd7  1  0.39  0.8  0.15  1.0
  Pd  Pd8  1  0.39  0.8  0.73  1.0
  Pd  Pd9  1  0.39  0.02  0.03  1.0
  Pd  Pd10  1  0.39  0.02  0.61  1.0
  Pd  Pd11  1  0.4  0.41  0.32  1.0
  Pd  Pd12  1  0.61  0.02  0.03  1.0
  Pd  Pd13  1  0.61  0.02  0.61  1.0
  Pd  Pd14  1  0.62  0.42  0.44  1.0
  Pd  Pd15  1  0.79  0.01  0.32  1.0
  Pd  Pd16  1  0.79  0.22  0.15  1.0
  Pd  Pd17  1  0.79  0.22  0.73  1.0
  Pt  Pt18  1  -0.0  0.22  0.12  1.0
  Pt  Pt19  1  -0.0  0.22  0.76  1.0
  Pt  Pt20  1  0.0  0.0  0.32  1.0
  Pt  Pt21  1  0.0  0.0  0.44  1.0
  Pt  Pt22  1  0.79  0.61  0.0  1.0
  Pt  Pt23  1  0.79  0.61  0.63  1.0

Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pt Pt Pt Pt Pt Pt
Pd3Pt1 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four Pd clusters, one Pd3Pt1 cluster, and four PtPd clusters. In each Pd cluster, there are two inequivalent Pd sites. In the first Pd site, Pd(5,6,15,16) is bonded in a 1-coordinate geometry to one Pd(13) atom. The Pd(5,6,15,16)-Pd(13) bond length is 1.18 Å. In the second Pd site, Pd(13) is bonded in a distorted single-bond geometry to one Pd(5,6,15,16) atom. In the Pd3Pt1 cluster, there are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Pd(1) and one Pd(9) atom. The Pt(1)-Pd(1) bond length is 1.98 Å. The Pt(1)-Pd(9) bond length is 1.21 Å. In the second Pt site, Pt(2) is bonded in a distorted single-bond geometry to one Pd(10) and one Pd(12) atom. The Pt(2)-Pd(10) bond length is 1.02 Å. The Pt(2)-Pd(12) bond length is 2.25 Å. There are six inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to one Pt(1) and one Pd(11) atom. The Pd(1)-Pd(11) bond length is 1.29 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Pd(12) atom. The Pd(2)-Pd(12) bond length is 1.29 Å. In the third Pd site, Pd(9) is bonded in a single-bond geometry to one Pt(1) atom. In the fourth Pd site, Pd(10) is bonded in a single-bond geometry to one Pt(2) atom. In the fifth Pd site, Pd(11) is bonded in a 2-coordinate geometry to one Pd(1) and one Pd(12) atom. The Pd(11)-Pd(12) bond length is 1.68 Å. In the sixth Pd site, Pd(12) is bonded in a 3-coordinate geometry to one Pt(2), one Pd(11), and one Pd(2) atom. In each PtPd cluster, Pt(3,5) is bonded in a single-bond geometry to one Pd(3,17) atom. The Pt(3,5)-Pd(3,17) bond length is 1.23 Å. Pd(3,17) is bonded in a single-bond geometry to one Pt(3,5) atom.