data_BaSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   151.84
_cell_angle_beta   129.55
_cell_angle_gamma   58.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnIr2
_chemical_formula_sum   'Ba1 Sn1 Ir2'
_cell_volume   89.7
_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
  Ba  Ba0  1  0.0  0.68  0.75  1.0
  Sn  Sn3  1  0.0  0.0  0.04  1.0
  Ir  Ir1  1  0.0  0.0  0.49  1.0
  Ir  Ir2  1  0.53  0.0  0.68  1.0

data_BaSnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.36
_cell_length_c   6.28
_cell_angle_alpha   115.23
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnIr2
_chemical_formula_sum   'Ba1 Sn1 Ir2'
_cell_volume   89.7
_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
  Ba  Ba0  1  0.32  0.07  0.07  1.0
  Sn  Sn1  1  0.0  0.04  0.04  1.0
  Ir  Ir2  1  0.0  0.49  0.49  1.0
  Ir  Ir3  1  0.0  0.68  0.15  1.0

Ba Sn Ir Ir
BaIr2Sn crystallizes in the triclinic P1 space group. Ba(1) is bonded in a distorted single-bond geometry to three equivalent Ir(1) and one Sn(1) atom. There are a spread of Ba(1)-Ir(1) bond distances ranging from 2.92-3.55 Å. The Ba(1)-Sn(1) bond length is 0.95 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to three equivalent Ba(1), one Ir(2), two equivalent Ir(1), and two equivalent Sn(1) atoms. The Ir(1)-Ir(2) bond length is 2.71 Å. Both Ir(1)-Ir(1) bond lengths are 3.06 Å. There is one shorter (2.83 Å) and one longer (3.46 Å) Ir(1)-Sn(1) bond length. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Ir(1) and one Sn(1) atom. The Ir(2)-Sn(1) bond length is 2.31 Å. Sn(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ir(2), and two equivalent Ir(1) atoms.