data_FeGe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe2Ir
_chemical_formula_sum   'Fe1 Ge2 Ir1'
_cell_volume   54.34
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.5  0.5  0.38  1.0
  Ge  Ge2  1  0.5  0.5  0.69  1.0
  Ir  Ir3  1  0.0  0.0  0.03  1.0

data_FeGe2Ir
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   FeGe2Ir
_chemical_formula_sum   'Fe1 Ge2 Ir1'
_cell_volume   54.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.5  0.5  0.38  1.0
  Ge  Ge2  1  0.5  0.5  0.69  1.0
  Ir  Ir3  1  0.0  0.0  0.03  1.0

Fe Ge Ge Ir
Fe Ge Ge Ir 0 3 o o o 1 2 o o o 
FeIrGe2 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a single-bond geometry to one Ir(1) and four equivalent Ge(2) atoms. The Fe(1)-Ir(1) bond length is 0.20 Å. There are a spread of Fe(1)-Ge(2) bond distances ranging from 2.83-2.85 Å. Ir(1) is bonded in a single-bond geometry to one Fe(1) and four equivalent Ge(1) atoms. There are a spread of Ir(1)-Ge(1) bond distances ranging from 2.97-2.99 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Ir(1), one Ge(2), and four equivalent Ge(1) atoms. The Ge(1)-Ge(2) bond length is 1.87 Å. All Ge(1)-Ge(1) bond lengths are 2.99 Å. In the second Ge site, Ge(2) is bonded in a 5-coordinate geometry to four equivalent Fe(1) and one Ge(1) atom.