data_GeBi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   131.8
_cell_angle_beta   131.8
_cell_angle_gamma   70.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Ir
_chemical_formula_sum   'Ge1 Bi2 Ir1'
_cell_volume   91.17
_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  Ge2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.5  1.0
  Bi  Bi1  1  0.0  0.25  0.25  1.0
  Ir  Ir3  1  0.25  0.0  0.25  1.0

data_GeBi2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.51
_cell_angle_alpha   114.1
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Ir
_chemical_formula_sum   'Ge1 Bi2 Ir1'
_cell_volume   91.17
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.5  0.5  0.5  1.0
  Bi  Bi2  1  1.0  0.25  1.0  1.0
  Ir  Ir3  1  0.25  1.0  1.0  1.0

Ge Bi Bi Ir
IrGeBi2 crystallizes in the triclinic P1 space group. Ir(1) is bonded in a single-bond geometry to one Ge(1) and two equivalent Bi(1) atoms. The Ir(1)-Ge(1) bond length is 1.13 Å. There is one shorter (2.52 Å) and one longer (3.37 Å) Ir(1)-Bi(1) bond length. Ge(1) is bonded in a distorted L-shaped geometry to one Ir(1), one Bi(1), and one Bi(2) atom. The Ge(1)-Bi(1) bond length is 2.76 Å. The Ge(1)-Bi(2) bond length is 1.13 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to two equivalent Ir(1), one Ge(1), and two equivalent Bi(2) atoms. There is one shorter (2.52 Å) and one longer (3.37 Å) Bi(1)-Bi(2) bond length. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Ge(1) and two equivalent Bi(1) atoms.