data_Ti2SbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.5
_cell_length_b   8.5
_cell_length_c   8.5
_cell_angle_alpha   21.51
_cell_angle_beta   21.51
_cell_angle_gamma   21.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SbOs
_chemical_formula_sum   'Ti2 Sb1 Os1'
_cell_volume   72.38
_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  Ti2  1  0.0  0.0  0.99  1.0
  Ti  Ti3  1  0.0  0.0  0.92  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.0  0.0  0.45  1.0

data_Ti2SbOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   3.17
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   102.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2SbOs
_chemical_formula_sum   'Ti4 Sb2 Os2'
_cell_volume   144.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.08  1.0
  Ti  Ti1  2  -0.0  0.0  0.01  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0
  Os  Os3  2  -0.0  0.0  0.55  1.0

Ti Ti Sb Os