data_CaBiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiIr
_chemical_formula_sum   'Ca1 Bi1 Ir1'
_cell_volume   69.12
_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  Ca1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  1.0  0.75  0.75  1.0
  Ir  Ir2  1  0.38  0.38  0.75  1.0

data_CaBiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiIr
_chemical_formula_sum   'Ca1 Bi1 Ir1'
_cell_volume   69.12
_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
  Bi  Bi1  1  0.75  1.0  0.75  1.0
  Ir  Ir2  1  0.75  0.38  0.38  1.0

Ca Bi Ir
CaIrBi is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaIrBi cluster. Ca(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Bi(1) atom. The Ca(1)-Ir(1) bond length is 2.01 Å. The Ca(1)-Bi(1) bond length is 1.46 Å. Ir(1) is bonded in a distorted single-bond geometry to one Ca(1) atom. Bi(1) is bonded in a single-bond geometry to one Ca(1) atom.