data_Ca2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2PtPb
_chemical_formula_sum   'Ca2 Pt1 Pb1'
_cell_volume   114.17
_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  0.84  0.84  0.77  1.0
  Ca  Ca1  1  0.0  0.0  0.54  1.0
  Pt  Pt3  1  0.0  0.0  0.06  1.0
  Pb  Pb2  1  0.84  0.84  0.64  1.0

data_Ca2PtPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2PtPb
_chemical_formula_sum   'Ca4 Pt2 Pb2'
_cell_volume   228.34
_cell_formula_units_Z   2
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
  Ca  Ca0  2  0.0  0.0  0.54  1.0
  Ca  Ca1  2  0.34  0.5  0.77  1.0
  Pt  Pt2  2  0.0  0.0  0.06  1.0
  Pb  Pb3  2  0.34  0.5  0.64  1.0

Ca Ca Pt Pb
Ca2PtPb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2PtPb clusters. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted single-bond geometry to one Pt(1) and one Pb(1) atom. The Ca(1)-Pt(1) bond length is 2.51 Å. The Ca(1)-Pb(1) bond length is 1.14 Å. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one Pb(1) atom. The Ca(2)-Pb(1) bond length is 1.18 Å. Pt(1) is bonded in a single-bond geometry to one Ca(1) atom. Pb(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Ca(2) atom.