data_BaIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.96
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIrOs2
_chemical_formula_sum   'Ba1 Ir1 Os2'
_cell_volume   74.78
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.48  0.48  0.0  1.0
  Os  Os2  1  0.48  0.0  0.55  1.0
  Os  Os3  1  0.0  0.48  0.55  1.0

data_BaIrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.96
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIrOs2
_chemical_formula_sum   'Ba1 Ir1 Os2'
_cell_volume   74.78
_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  0.0  0.0  1.0
  Os  Os1  1  0.0  0.48  0.55  1.0
  Os  Os2  1  0.48  0.0  0.55  1.0
  Ir  Ir3  1  0.48  0.48  0.0  1.0

Ba Ir Os Os
Ba Ir Os Os 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 0 + o o 0 3 o o - 1 3 o o - 1 3 o o o 1 3 + o - 1 3 + o o 1 1 + o o 1 2 o o - 2 3 o - o 2 3 o o o 2 3 + - o 2 3 + o o 2 2 + o o 3 3 + o o 
BaOs2Ir crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Os(1), four equivalent Os(2), and four equivalent Ir(1) atoms. There are a spread of Ba(1)-Os(1) bond distances ranging from 2.70-3.20 Å. There are a spread of Ba(1)-Os(2) bond distances ranging from 3.31-3.81 Å. There are a spread of Ba(1)-Ir(1) bond distances ranging from 2.77-3.01 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent Os(2) atoms. There are a spread of Os(1)-Os(2) bond distances ranging from 2.77-3.01 Å. In the second Os site, Os(2) is bonded in a 14-coordinate geometry to four equivalent Ba(1), two equivalent Os(2), four equivalent Os(1), and four equivalent Ir(1) atoms. Both Os(2)-Os(2) bond lengths are 2.96 Å. There are a spread of Os(2)-Ir(1) bond distances ranging from 2.70-3.20 Å. Ir(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and four equivalent Os(2) atoms.