data_YbGa2Ir
_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   YbGa2Ir
_chemical_formula_sum   'Yb1 Ga2 Ir1'
_cell_volume   66.16
_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
  Yb  Yb0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.61  0.61  0.61  1.0
  Ga  Ga2  1  0.82  0.82  0.82  1.0
  Ir  Ir3  1  0.21  0.21  0.21  1.0

data_YbGa2Ir
_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   YbGa2Ir
_chemical_formula_sum   'Yb3 Ga6 Ir3'
_cell_volume   198.49
_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
  Yb  Yb0  3  0.0  0.0  0.0  1.0
  Ga  Ga1  3  0.0  0.0  0.18  1.0
  Ga  Ga2  3  0.0  0.0  0.39  1.0
  Ir  Ir3  3  0.0  0.0  0.79  1.0

Yb Ga Ga Ir
YbIrGa2 crystallizes in the trigonal R3m space group. Yb(1) is bonded in a distorted linear geometry to one Ir(1), one Ga(2), and three equivalent Ga(1) atoms. The Yb(1)-Ir(1) bond length is 2.34 Å. The Yb(1)-Ga(2) bond length is 2.05 Å. All Yb(1)-Ga(1) bond lengths are 2.71 Å. Ir(1) is bonded in a distorted single-bond geometry to one Yb(1) and three equivalent Ga(1) atoms. All Ir(1)-Ga(1) bond lengths are 2.71 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 7-coordinate geometry to three equivalent Yb(1), three equivalent Ir(1), and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 2.34 Å. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to one Yb(1) and one Ga(1) atom.