data_Ba(SiIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   6.77
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   91.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(SiIr)2
_chemical_formula_sum   'Ba4 Si8 Ir8'
_cell_volume   420.81
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.1  0.19  0.01  1.0
  Ba  Ba1  1  0.75  0.81  0.88  1.0
  Ba  Ba2  1  0.97  0.97  0.9  1.0
  Ba  Ba3  1  0.63  0.58  0.77  1.0
  Si  Si4  1  0.49  0.93  0.89  1.0
  Si  Si5  1  0.44  0.77  0.46  1.0
  Si  Si6  1  0.41  0.38  0.44  1.0
  Si  Si7  1  0.29  0.0  0.33  1.0
  Si  Si8  1  0.36  0.55  0.0  1.0
  Si  Si9  1  0.23  0.84  0.9  1.0
  Si  Si10  1  0.37  0.23  0.78  1.0
  Si  Si11  1  0.31  0.39  0.35  1.0
  Ir  Ir12  1  0.92  0.1  0.01  1.0
  Ir  Ir13  1  0.8  0.67  0.78  1.0
  Ir  Ir14  1  0.8  0.06  0.9  1.0
  Ir  Ir15  1  0.05  0.64  0.32  1.0
  Ir  Ir16  1  0.8  0.26  0.57  1.0
  Ir  Ir17  1  0.67  0.13  0.46  1.0
  Ir  Ir18  1  0.93  0.52  0.22  1.0
  Ir  Ir19  1  0.93  0.71  0.89  1.0

data_Ba(SiIr)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.77
_cell_length_b   7.79
_cell_length_c   7.98
_cell_angle_alpha   91.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba(SiIr)2
_chemical_formula_sum   'Ba4 Si8 Ir8'
_cell_volume   420.81
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ba  Ba0  2  0.19  0.38  0.27  1.0
  Ba  Ba1  2  0.42  0.49  0.39  1.0
  Si  Si2  2  0.0  0.96  0.95  1.0
  Si  Si3  2  0.16  0.61  1.0  1.0
  Si  Si4  2  0.38  0.06  0.07  1.0
  Si  Si5  2  0.45  0.5  0.87  1.0
  Ir  Ir6  2  0.13  0.82  0.56  1.0
  Ir  Ir7  2  0.26  0.93  0.69  1.0
  Ir  Ir8  2  0.29  0.39  0.44  1.0
  Ir  Ir9  2  0.33  0.49  0.57  1.0

Ba Ba Ba Ba Si Si Si Si Si Si Si Si Ir Ir Ir Ir Ir Ir Ir Ir
Ba Ba Ba Ba Si Si Si Si Si Si Si Si Ir Ir Ir Ir Ir Ir Ir Ir 0 12 - o o 0 10 o o - 1 19 o o o 1 13 o o o 1 4 o o o 2 12 o + + 2 14 o + o 2 9 + o o 3 13 o o o 3 8 o o + 4 9 o o o 4 10 o + o 4 14 o + o 4 8 o o + 5 6 o o o 5 7 o + o 6 11 o o o 6 10 o o o 7 11 o o o 8 11 o o o 8 9 o o - 8 10 o o - 9 19 - o o 9 10 o + o 12 14 o o - 13 19 o o o 15 18 - o o 16 17 o o o 
Ba(IrSi)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to one Ir(1), one Ir(4), one Si(1), one Si(2), and two equivalent Si(4) atoms. The Ba(1)-Ir(1) bond length is 1.54 Å. The Ba(1)-Ir(4) bond length is 3.06 Å. The Ba(1)-Si(1) bond length is 2.78 Å. The Ba(1)-Si(2) bond length is 3.14 Å. There is one shorter (2.85 Å) and one longer (3.17 Å) Ba(1)-Si(4) bond length. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one Ir(1), two equivalent Ir(2), and one Si(1) atom. The Ba(2)-Ir(1) bond length is 1.28 Å. There is one shorter (1.54 Å) and one longer (1.77 Å) Ba(2)-Ir(2) bond length. The Ba(2)-Si(1) bond length is 2.25 Å. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted L-shaped geometry to one Ba(1) and one Ba(2) atom. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to two equivalent Ba(2) and one Si(1) atom. The Ir(2)-Si(1) bond length is 2.58 Å. In the third Ir site, Ir(3) is bonded in a distorted T-shaped geometry to one Ir(4), one Si(2), and one Si(3) atom. The Ir(3)-Ir(4) bond length is 1.54 Å. The Ir(3)-Si(2) bond length is 3.07 Å. The Ir(3)-Si(3) bond length is 2.70 Å. In the fourth Ir site, Ir(4) is bonded in a 2-coordinate geometry to one Ba(1) and one Ir(3) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted trigonal bipyramidal geometry to one Ba(1), one Ba(2), one Ir(2), one Si(1), and one Si(4) atom. The Si(1)-Si(1) bond length is 2.15 Å. The Si(1)-Si(4) bond length is 2.38 Å. In the second Si site, Si(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ir(3), one Si(2), and one Si(3) atom. The Si(2)-Si(2) bond length is 2.19 Å. The Si(2)-Si(3) bond length is 2.64 Å. In the third Si site, Si(3) is bonded in a 1-coordinate geometry to one Ir(3), one Si(2), and one Si(3) atom. The Si(3)-Si(3) bond length is 1.03 Å. In the fourth Si site, Si(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Si(1) atom.