data_Ge2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.71
_cell_length_c   3.91
_cell_angle_alpha   71.13
_cell_angle_beta   69.12
_cell_angle_gamma   39.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbIr
_chemical_formula_sum   'Ge2 Sb1 Ir1'
_cell_volume   76.73
_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
  Ge  Ge0  1  0.0  0.42  0.52  1.0
  Ge  Ge1  1  0.68  0.42  0.52  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.68  0.84  0.04  1.0

data_Ge2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.71
_cell_angle_alpha   108.87
_cell_angle_beta   108.87
_cell_angle_gamma   93.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbIr
_chemical_formula_sum   'Ge2 Sb1 Ir1'
_cell_volume   76.73
_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
  Ge  Ge0  1  0.06  0.58  0.58  1.0
  Ge  Ge1  1  0.38  0.58  0.9  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.44  0.16  0.48  1.0

Ge Ge Sb Ir
Ge Ge Sb Ir 0 1 - o o 0 2 o o + 0 3 - o + 0 3 - o o 1 2 + o + 1 2 + o o 1 3 o o o 2 3 - - o 
IrGe2Sb crystallizes in the triclinic P1 space group. Ir(1) is bonded in a 5-coordinate geometry to one Ge(2), three equivalent Ge(1), and one Sb(1) atom. The Ir(1)-Ge(2) bond length is 2.52 Å. There are a spread of Ir(1)-Ge(1) bond distances ranging from 2.33-2.96 Å. The Ir(1)-Sb(1) bond length is 2.56 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 5-coordinate geometry to three equivalent Ir(1), one Ge(2), and one Sb(1) atom. The Ge(1)-Ge(2) bond length is 1.82 Å. The Ge(1)-Sb(1) bond length is 2.52 Å. In the second Ge site, Ge(2) is bonded in a 5-coordinate geometry to one Ir(1), one Ge(1), and three equivalent Sb(1) atoms. There are a spread of Ge(2)-Sb(1) bond distances ranging from 2.33-2.96 Å. Sb(1) is bonded in a 5-coordinate geometry to one Ir(1), one Ge(1), and three equivalent Ge(2) atoms.