data_SiGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGeIr2
_chemical_formula_sum   'Si1 Ge1 Ir2'
_cell_volume   60.76
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.19  1.0
  Ir  Ir1  1  0.43  0.0  0.48  1.0
  Ir  Ir2  1  0.43  0.0  0.89  1.0

data_SiGeIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.91
_cell_length_b   4.99
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiGeIr2
_chemical_formula_sum   'Si2 Ge2 Ir4'
_cell_volume   121.53
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.81  1.0
  Ir  Ir2  2  0.07  0.5  0.11  1.0
  Ir  Ir3  2  0.07  0.5  0.52  1.0

Si Ge Ir Ir
Ir2GeSi crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to one Ir(2), six equivalent Ir(1), and two equivalent Ge(1) atoms. The Ir(1)-Ir(2) bond length is 3.44 Å. There are two shorter (2.87 Å) and four longer (2.91 Å) Ir(1)-Ir(1) bond lengths. There is one shorter (2.77 Å) and one longer (2.96 Å) Ir(1)-Ge(1) bond length. In the second Ir site, Ir(2) is bonded in a distorted bent 120 degrees geometry to one Ir(1) and two equivalent Si(1) atoms. There is one shorter (1.55 Å) and one longer (1.87 Å) Ir(2)-Si(1) bond length. Ge(1) is bonded in a distorted single-bond geometry to two equivalent Ir(1) and one Si(1) atom. The Ge(1)-Si(1) bond length is 1.57 Å. Si(1) is bonded in a distorted trigonal planar geometry to two equivalent Ir(2) and one Ge(1) atom.