data_TaGe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe2Ir
_chemical_formula_sum   'Ta1 Ge2 Ir1'
_cell_volume   66.1
_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
  Ta  Ta3  1  0.21  0.21  0.21  1.0
  Ge  Ge0  1  0.6  0.6  0.6  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.81  0.81  0.81  1.0

data_TaGe2Ir
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaGe2Ir
_chemical_formula_sum   'Ta3 Ge6 Ir3'
_cell_volume   198.31
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Ta  Ta0  3  0.0  0.0  0.79  1.0
  Ge  Ge1  3  0.0  0.0  0.0  1.0
  Ge  Ge2  3  0.0  0.0  0.4  1.0
  Ir  Ir3  3  0.0  0.0  0.19  1.0

Ta Ge Ge Ir
TaIrGe2 crystallizes in the trigonal R3m space group. Ta(1) is bonded in a 10-coordinate geometry to three equivalent Ir(1), three equivalent Ge(1), and four equivalent Ge(2) atoms. All Ta(1)-Ir(1) bond lengths are 2.71 Å. All Ta(1)-Ge(1) bond lengths are 2.71 Å. There is one shorter (2.33 Å) and three longer (2.96 Å) Ta(1)-Ge(2) bond lengths. Ir(1) is bonded in a 5-coordinate geometry to three equivalent Ta(1), one Ge(1), and one Ge(2) atom. The Ir(1)-Ge(1) bond length is 2.33 Å. The Ir(1)-Ge(2) bond length is 2.07 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to three equivalent Ta(1) and one Ir(1) atom to form distorted corner-sharing GeTa3Ir tetrahedra. In the second Ge site, Ge(2) is bonded in a linear geometry to four equivalent Ta(1) and one Ir(1) atom.