data_TiTeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   2.94
_cell_angle_alpha   104.31
_cell_angle_beta   104.31
_cell_angle_gamma   117.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTeOs2
_chemical_formula_sum   'Ti1 Te1 Os2'
_cell_volume   66.34
_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
  Te  Te2  1  0.78  0.0  0.0  1.0
  Os  Os0  1  0.69  0.31  0.29  1.0
  Os  Os1  1  0.69  0.69  0.29  1.0

data_TiTeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.89
_cell_length_c   5.39
_cell_angle_alpha   115.97
_cell_angle_beta   104.31
_cell_angle_gamma   93.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTeOs2
_chemical_formula_sum   'Ti1 Te1 Os2'
_cell_volume   66.34
_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
  Te  Te1  1  -0.0  0.0  0.78  1.0
  Os  Os2  1  0.6  0.31  1.0  1.0
  Os  Os3  1  0.98  0.69  0.37  1.0

Ti Te Os Os
TiOs2Te crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted single-bond geometry to one Os(1), two equivalent Os(2), and one Te(1) atom. The Ti(1)-Os(1) bond length is 3.02 Å. There is one shorter (1.97 Å) and one longer (2.28 Å) Ti(1)-Os(2) bond length. The Ti(1)-Te(1) bond length is 1.18 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to one Ti(1), one Os(2), and one Te(1) atom. The Os(1)-Os(2) bond length is 2.04 Å. The Os(1)-Te(1) bond length is 2.03 Å. In the second Os site, Os(2) is bonded in a 5-coordinate geometry to two equivalent Ti(1), one Os(1), and two equivalent Te(1) atoms. There is one shorter (1.98 Å) and one longer (2.09 Å) Os(2)-Te(1) bond length. Te(1) is bonded in a distorted single-bond geometry to one Ti(1), one Os(1), and two equivalent Os(2) atoms.