data_TiGa2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2Os
_chemical_formula_sum   'Ti1 Ga2 Os1'
_cell_volume   60.03
_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
  Ga  Ga0  1  0.36  0.75  0.57  1.0
  Ga  Ga1  1  0.36  0.25  0.57  1.0
  Os  Os2  1  0.73  0.0  0.0  1.0

data_TiGa2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   104.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2Os
_chemical_formula_sum   'Ti1 Ga2 Os1'
_cell_volume   60.03
_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
  Ga  Ga1  1  0.57  0.36  0.25  1.0
  Ga  Ga2  1  0.57  0.36  0.75  1.0
  Os  Os3  1  0.0  0.73  0.0  1.0

Ti Ga Ga Os
Ti Ga Ga Os 0 3 - o o 0 1 o - - 0 2 o o o 0 2 o o - 1 2 o + o 1 2 o o o 1 3 o + o 1 3 o + + 2 3 o o + 
TiOsGa2 crystallizes in the triclinic P1 space group. Ti(1) is bonded in a distorted single-bond geometry to one Os(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. The Ti(1)-Os(1) bond length is 1.20 Å. There is one shorter (2.56 Å) and one longer (2.81 Å) Ti(1)-Ga(1) bond length. There is one shorter (2.19 Å) and one longer (2.48 Å) Ti(1)-Ga(2) bond length. Os(1) is bonded in a distorted single-bond geometry to one Ti(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. There is one shorter (2.19 Å) and one longer (2.48 Å) Os(1)-Ga(1) bond length. There is one shorter (2.56 Å) and one longer (2.81 Å) Os(1)-Ga(2) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 6-coordinate geometry to two equivalent Ti(1), two equivalent Os(1), and two equivalent Ga(2) atoms. There is one shorter (2.20 Å) and one longer (2.25 Å) Ga(1)-Ga(2) bond length. In the second Ga site, Ga(2) is bonded in a 6-coordinate geometry to two equivalent Ti(1), two equivalent Os(1), and two equivalent Ga(1) atoms.