data_CdSi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   146.3
_cell_angle_beta   125.17
_cell_angle_gamma   65.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2Ir
_chemical_formula_sum   'Cd1 Si2 Ir1'
_cell_volume   64.92
_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
  Cd  Cd0  1  0.0  0.0  0.42  1.0
  Si  Si2  1  0.0  0.0  0.05  1.0
  Si  Si3  1  0.0  0.42  0.44  1.0
  Ir  Ir1  1  0.52  0.0  0.9  1.0

data_CdSi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.84
_cell_length_c   5.25
_cell_angle_alpha   117.42
_cell_angle_beta   106.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSi2Ir
_chemical_formula_sum   'Cd1 Si2 Ir1'
_cell_volume   64.92
_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
  Cd  Cd0  1  0.58  0.58  0.58  1.0
  Si  Si1  1  0.56  0.98  0.98  1.0
  Si  Si2  1  0.95  0.95  0.95  1.0
  Ir  Ir3  1  0.62  0.1  0.62  1.0

Cd Si Si Ir
IrCdSi2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 4-coordinate geometry to two equivalent Cd(1), one Si(1), and two equivalent Si(2) atoms. There is one shorter (2.42 Å) and one longer (2.44 Å) Ir(1)-Cd(1) bond length. The Ir(1)-Si(1) bond length is 2.16 Å. There is one shorter (2.26 Å) and one longer (3.09 Å) Ir(1)-Si(2) bond length. Cd(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1), one Si(1), and two equivalent Si(2) atoms. The Cd(1)-Si(1) bond length is 1.96 Å. There is one shorter (2.13 Å) and one longer (3.13 Å) Cd(1)-Si(2) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 4-coordinate geometry to one Ir(1), one Cd(1), and two equivalent Si(2) atoms. There is one shorter (1.24 Å) and one longer (1.82 Å) Si(1)-Si(2) bond length. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Cd(1), and two equivalent Si(1) atoms.