data_CdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPt
_chemical_formula_sum   'Cd4 Pt4'
_cell_volume   151.83
_cell_formula_units_Z   4
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
  Cd  Cd0  1  0.0  0.0  0.04  1.0
  Cd  Cd1  1  0.0  0.0  0.11  1.0
  Cd  Cd2  1  0.32  0.34  0.11  1.0
  Cd  Cd3  1  0.0  0.68  0.04  1.0
  Pt  Pt4  1  0.32  0.34  0.68  1.0
  Pt  Pt5  1  0.0  0.68  0.75  1.0
  Pt  Pt6  1  0.0  0.68  0.46  1.0
  Pt  Pt7  1  0.32  0.34  0.39  1.0

data_CdPt
_symmetry_space_group_name_H-M   C2
_cell_length_a   8.04
_cell_length_b   4.64
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   5
_chemical_formula_structural   CdPt
_chemical_formula_sum   'Cd8 Pt8'
_cell_volume   303.66
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y, -z'
  3  'x+1/2, y+1/2, z'
  4  '-x+1/2, y+1/2, -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
  Cd  Cd0  4  0.0  0.0  0.04  1.0
  Cd  Cd1  4  0.17  0.85  0.04  1.0
  Pt  Pt2  4  0.16  0.84  0.32  1.0
  Pt  Pt3  4  0.17  0.85  0.61  1.0

Cd Cd Cd Cd Pt Pt Pt Pt
PtCd crystallizes in the triclinic P1 space group. There are four inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 5-coordinate geometry to one Pt(4), three equivalent Pt(2), and one Cd(1) atom. The Pt(1)-Pt(4) bond length is 2.31 Å. There are a spread of Pt(1)-Pt(2) bond distances ranging from 2.71-2.79 Å. The Pt(1)-Cd(1) bond length is 3.29 Å. In the second Pt site, Pt(2) is bonded in a 1-coordinate geometry to one Pt(3), three equivalent Pt(1), and one Cd(4) atom. The Pt(2)-Pt(3) bond length is 2.31 Å. The Pt(2)-Cd(4) bond length is 2.34 Å. In the third Pt site, Pt(3) is bonded in a 5-coordinate geometry to one Pt(2), three equivalent Pt(4), and one Cd(2) atom. There are a spread of Pt(3)-Pt(4) bond distances ranging from 2.71-2.79 Å. The Pt(3)-Cd(2) bond length is 3.27 Å. In the fourth Pt site, Pt(4) is bonded in a distorted single-bond geometry to one Pt(1), three equivalent Pt(3), and one Cd(3) atom. The Pt(4)-Cd(3) bond length is 2.34 Å. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Pt(1), one Cd(2), and one Cd(4) atom. The Cd(1)-Cd(2) bond length is 0.57 Å. The Cd(1)-Cd(4) bond length is 1.49 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Pt(3), one Cd(1), and one Cd(3) atom. The Cd(2)-Cd(3) bond length is 1.53 Å. In the third Cd site, Cd(3) is bonded in a 2-coordinate geometry to one Pt(4) and one Cd(2) atom. In the fourth Cd site, Cd(4) is bonded in a 2-coordinate geometry to one Pt(2) and one Cd(1) atom.