data_YTaGeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaGeIr
_chemical_formula_sum   'Y1 Ta1 Ge1 Ir1'
_cell_volume   72.71
_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
  Y  Y0  1  0.31  0.31  0.31  1.0
  Ta  Ta3  1  0.97  0.97  0.97  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.66  0.66  0.66  1.0

data_YTaGeIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTaGeIr
_chemical_formula_sum   'Y3 Ta3 Ge3 Ir3'
_cell_volume   218.14
_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
  Y  Y0  3  0.0  0.0  0.69  1.0
  Ta  Ta1  3  0.0  0.0  0.03  1.0
  Ge  Ge2  3  0.0  0.0  0.0  1.0
  Ir  Ir3  3  0.0  0.0  0.34  1.0

Y Ta Ge Ir
Y Ta Ge Ir 0 2 o o + 0 2 o + o 0 2 + o o 0 1 - - o 0 1 - o - 0 1 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 + + + 1 3 + o o 1 3 o + o 1 3 o o + 2 3 o - - 2 3 - o - 2 3 - - o 
YTaIrGe crystallizes in the trigonal R3m space group. Y(1) is bonded in a 11-coordinate geometry to three equivalent Ta(1), four equivalent Ir(1), and four equivalent Ge(1) atoms. All Y(1)-Ta(1) bond lengths are 2.71 Å. There are three shorter (2.71 Å) and one longer (3.94 Å) Y(1)-Ir(1) bond length. There are three shorter (2.72 Å) and one longer (3.59 Å) Y(1)-Ge(1) bond length. Ta(1) is bonded in a single-bond geometry to three equivalent Y(1), four equivalent Ir(1), and one Ge(1) atom. There are three shorter (2.72 Å) and one longer (3.59 Å) Ta(1)-Ir(1) bond length. The Ta(1)-Ge(1) bond length is 0.35 Å. Ir(1) is bonded in a 11-coordinate geometry to four equivalent Y(1), four equivalent Ta(1), and three equivalent Ge(1) atoms. All Ir(1)-Ge(1) bond lengths are 2.71 Å. Ge(1) is bonded in a single-bond geometry to four equivalent Y(1), one Ta(1), and three equivalent Ir(1) atoms.