data_CaIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   3.62
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIrPb2
_chemical_formula_sum   'Ca1 Ir1 Pb2'
_cell_volume   107.36
_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  0.52  0.0  0.7  1.0
  Ir  Ir1  1  0.79  0.81  0.16  1.0
  Pb  Pb2  1  0.68  0.0  0.01  1.0
  Pb  Pb3  1  0.25  0.81  0.88  1.0

data_CaIrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.57
_cell_length_c   6.83
_cell_angle_alpha   108.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaIrPb2
_chemical_formula_sum   'Ca1 Ir1 Pb2'
_cell_volume   107.36
_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  0.48  0.3  1.0
  Ir  Ir1  1  0.19  0.21  0.84  1.0
  Pb  Pb2  1  0.0  0.32  0.99  1.0
  Pb  Pb3  1  0.19  0.75  0.12  1.0

Ca Ir Pb Pb
CaIrPb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaIrPb2 cluster. Ca(1) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(2) atom. The Ca(1)-Pb(1) bond length is 1.98 Å. The Ca(1)-Pb(2) bond length is 2.08 Å. Ir(1) is bonded in a single-bond geometry to one Pb(1) atom. The Ir(1)-Pb(1) bond length is 1.23 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Ir(1) atom. In the second Pb site, Pb(2) is bonded in a distorted single-bond geometry to one Ca(1) atom.