data_TiTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   146.21
_cell_angle_beta   129.22
_cell_angle_gamma   62.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcOs2
_chemical_formula_sum   'Ti1 Tc1 Os2'
_cell_volume   58.91
_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
  Tc  Tc2  1  0.0  0.0  0.42  1.0
  Os  Os0  1  0.5  0.0  0.09  1.0
  Os  Os1  1  0.0  0.22  0.34  1.0

data_TiTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.43
_cell_length_c   5.17
_cell_angle_alpha   115.39
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTcOs2
_chemical_formula_sum   'Ti1 Tc1 Os2'
_cell_volume   58.91
_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
  Tc  Tc1  1  0.0  0.42  0.42  1.0
  Os  Os2  1  0.0  0.09  0.58  1.0
  Os  Os3  1  0.78  0.12  0.12  1.0

Ti Tc Os Os
Ti Tc Os Os 0 3 o o o 0 2 o o o 1 3 o o o 1 2 - o o 2 3 + o o 
TiTcOs2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted single-bond geometry to one Os(1) and two equivalent Os(2) atoms. The Ti(1)-Os(1) bond length is 2.34 Å. There is one shorter (1.02 Å) and one longer (2.25 Å) Ti(1)-Os(2) bond length. Tc(1) is bonded in a 2-coordinate geometry to one Os(2) and two equivalent Os(1) atoms. The Tc(1)-Os(2) bond length is 1.51 Å. There is one shorter (2.00 Å) and one longer (2.69 Å) Tc(1)-Os(1) bond length. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Tc(1) atoms. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Tc(1) atom.