data_GeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr2
_chemical_formula_sum   'Ge4 Ir8'
_cell_volume   203.4
_cell_formula_units_Z   4
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
  Ge  Ge0  1  0.94  0.0  0.94  1.0
  Ge  Ge1  1  0.0  0.94  0.94  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.94  0.94  0.0  1.0
  Ir  Ir4  1  0.74  0.68  0.14  1.0
  Ir  Ir5  1  0.14  0.2  0.74  1.0
  Ir  Ir6  1  0.68  0.14  0.74  1.0
  Ir  Ir7  1  0.2  0.74  0.14  1.0
  Ir  Ir8  1  0.14  0.74  0.68  1.0
  Ir  Ir9  1  0.74  0.14  0.2  1.0
  Ir  Ir10  1  0.2  0.2  0.2  1.0
  Ir  Ir11  1  0.68  0.68  0.68  1.0

data_GeIr2
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   GeIr2
_chemical_formula_sum   'Ge12 Ir24'
_cell_volume   610.21
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ge  Ge0  9  0.04  0.02  0.96  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Ir  Ir2  9  0.04  0.49  0.69  1.0
  Ir  Ir3  9  0.16  0.78  0.52  1.0
  Ir  Ir4  3  0.0  0.0  0.2  1.0
  Ir  Ir5  3  0.0  0.0  0.68  1.0

Ge Ge Ge Ge Ir Ir Ir Ir Ir Ir Ir Ir
Ir2Ge crystallizes in the trigonal R3 space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to two equivalent Ir(4), four equivalent Ir(2), and one Ge(1) atom. There is one shorter (2.75 Å) and one longer (3.17 Å) Ir(1)-Ir(4) bond length. There are two shorter (2.75 Å) and two longer (3.17 Å) Ir(1)-Ir(2) bond lengths. The Ir(1)-Ge(1) bond length is 2.12 Å. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to two equivalent Ir(3), four equivalent Ir(1), one Ge(2), and two equivalent Ge(1) atoms. There is one shorter (2.75 Å) and one longer (3.17 Å) Ir(2)-Ir(3) bond length. The Ir(2)-Ge(2) bond length is 2.12 Å. There is one shorter (2.06 Å) and one longer (2.12 Å) Ir(2)-Ge(1) bond length. In the third Ir site, Ir(3) is bonded in a single-bond geometry to six equivalent Ir(2) and one Ge(2) atom. The Ir(3)-Ge(2) bond length is 2.06 Å. In the fourth Ir site, Ir(4) is bonded in a 9-coordinate geometry to six equivalent Ir(1) and three equivalent Ge(1) atoms. All Ir(4)-Ge(1) bond lengths are 2.88 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(4), two equivalent Ir(2), one Ge(2), and two equivalent Ge(1) atoms. The Ge(1)-Ge(2) bond length is 0.49 Å. Both Ge(1)-Ge(1) bond lengths are 0.49 Å. In the second Ge site, Ge(2) is bonded in a 3-coordinate geometry to one Ir(3), three equivalent Ir(2), and three equivalent Ge(1) atoms.