data_TiOs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.4
_cell_angle_alpha   94.61
_cell_angle_beta   94.61
_cell_angle_gamma   33.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOs2Se
_chemical_formula_sum   'Ti1 Os2 Se1'
_cell_volume   63.03
_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  0.0  1.0
  Os  Os0  1  0.97  0.0  0.99  1.0
  Os  Os1  1  0.49  0.0  0.39  1.0
  Se  Se2  1  0.73  0.0  0.19  1.0

data_TiOs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.4
_cell_length_c   5.13
_cell_angle_alpha   94.61
_cell_angle_beta   106.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOs2Se
_chemical_formula_sum   'Ti1 Os2 Se1'
_cell_volume   63.03
_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  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.39  0.49  1.0
  Os  Os2  1  0.0  0.99  0.97  1.0
  Se  Se3  1  0.0  0.19  0.73  1.0

Ti Os Os Se
TiOs2Se crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiOs2Se cluster. Ti(1) is bonded in a single-bond geometry to one Os(1) atom. The Ti(1)-Os(1) bond length is 0.17 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Se(1) atom. The Os(1)-Se(1) bond length is 1.57 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Se(1) atom. The Os(2)-Se(1) bond length is 1.57 Å. Se(1) is bonded in a linear geometry to one Os(1) and one Os(2) atom.