data_TlIr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIr2Os
_chemical_formula_sum   'Tl1 Ir2 Os1'
_cell_volume   65.89
_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
  Tl  Tl3  1  0.41  0.41  0.0  1.0
  Ir  Ir0  1  0.41  0.0  0.42  1.0
  Ir  Ir1  1  0.0  0.41  0.42  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_TlIr2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlIr2Os
_chemical_formula_sum   'Tl2 Ir4 Os2'
_cell_volume   131.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tl  Tl0  2  0.41  0.0  0.0  1.0
  Ir  Ir1  4  0.21  0.21  0.42  1.0
  Os  Os2  2  0.0  0.0  0.0  1.0

Tl Ir Ir Os
OsIr2Tl crystallizes in the monoclinic Cm space group. Os(1) is bonded in a 13-coordinate geometry to two equivalent Os(1), eight equivalent Ir(1), and three equivalent Tl(1) atoms. Both Os(1)-Os(1) bond lengths are 2.84 Å. There are a spread of Os(1)-Ir(1) bond distances ranging from 2.31-3.29 Å. There is one shorter (2.80 Å) and two longer (3.46 Å) Os(1)-Tl(1) bond lengths. Ir(1) is bonded in a 2-coordinate geometry to four equivalent Os(1) and two equivalent Tl(1) atoms. There is one shorter (2.31 Å) and one longer (2.58 Å) Ir(1)-Tl(1) bond length. Tl(1) is bonded in a 4-coordinate geometry to three equivalent Os(1) and four equivalent Ir(1) atoms.