data_TiSiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   145.88
_cell_angle_beta   125.73
_cell_angle_gamma   65.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiOs2
_chemical_formula_sum   'Ti1 Si1 Os2'
_cell_volume   57.01
_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
  Ti  Ti3  1  0.0  0.0  0.22  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.47  0.0  0.92  1.0
  Os  Os1  1  0.0  0.29  0.3  1.0

data_TiSiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.58
_cell_length_c   5.02
_cell_angle_alpha   117.13
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiOs2
_chemical_formula_sum   'Ti1 Si1 Os2'
_cell_volume   57.01
_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
  Ti  Ti0  1  0.78  0.78  0.78  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.56  0.08  0.56  1.0
  Os  Os3  1  0.7  0.99  0.99  1.0

Ti Si Os Os
Ti Si Os Os 0 3 o o o 0 1 o o o 0 2 - o - 1 3 o o o 1 2 o o - 1 2 - o - 2 3 + o + 
TiOs2Si crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 2-coordinate geometry to one Os(2), two equivalent Os(1), and one Si(1) atom. The Ti(1)-Os(2) bond length is 1.14 Å. There is one shorter (2.15 Å) and one longer (2.86 Å) Ti(1)-Os(1) bond length. The Ti(1)-Si(1) bond length is 1.11 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Si(1) atom. The Os(1)-Si(1) bond length is 2.65 Å. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Si(1) atoms. There is one shorter (0.88 Å) and one longer (2.07 Å) Os(2)-Si(1) bond length. Si(1) is bonded in a 2-coordinate geometry to one Ti(1), one Os(1), and two equivalent Os(2) atoms.