data_CaPdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.78
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPdPt2
_chemical_formula_sum   'Ca1 Pd1 Pt2'
_cell_volume   71.5
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.95  0.0  0.56  1.0
  Pt  Pt2  1  0.23  0.39  0.76  1.0
  Pt  Pt3  1  0.68  0.39  0.37  1.0

data_CaPdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.78
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPdPt2
_chemical_formula_sum   'Ca1 Pd1 Pt2'
_cell_volume   71.5
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.95  0.0  0.56  1.0
  Pt  Pt2  1  0.23  0.39  0.76  1.0
  Pt  Pt3  1  0.68  0.39  0.37  1.0

Ca Pd Pt Pt
CaPt2Pd crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 2-coordinate geometry to one Pt(1), four equivalent Pt(2), and one Pd(1) atom. The Ca(1)-Pt(1) bond length is 2.42 Å. There are a spread of Ca(1)-Pt(2) bond distances ranging from 2.96-3.82 Å. The Ca(1)-Pd(1) bond length is 2.27 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 2-coordinate geometry to one Ca(1), three equivalent Pt(2), and one Pd(1) atom. There are a spread of Pt(1)-Pt(2) bond distances ranging from 2.34-3.20 Å. The Pt(1)-Pd(1) bond length is 2.20 Å. In the second Pt site, Pt(2) is bonded in a 12-coordinate geometry to four equivalent Ca(1), two equivalent Pt(2), three equivalent Pt(1), and three equivalent Pd(1) atoms. Both Pt(2)-Pt(2) bond lengths are 2.92 Å. There are a spread of Pt(2)-Pd(1) bond distances ranging from 2.20-3.14 Å. Pd(1) is bonded in a 1-coordinate geometry to one Ca(1), one Pt(1), and three equivalent Pt(2) atoms.