data_Ti2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   4.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Os
_chemical_formula_sum   'Ti6 Os3'
_cell_volume   150.52
_cell_formula_units_Z   3
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  0.19  0.41  0.07  1.0
  Ti  Ti4  1  0.14  0.22  0.0  1.0
  Ti  Ti5  1  0.63  0.0  0.07  1.0
  Ti  Ti6  1  0.42  0.2  0.07  1.0
  Ti  Ti7  1  0.72  0.0  0.0  1.0
  Ti  Ti8  1  0.38  0.39  0.0  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.74  0.07  1.0
  Os  Os2  1  0.24  0.87  0.07  1.0

data_Ti2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Os
_chemical_formula_sum   'Ti6 Os3'
_cell_volume   150.52
_cell_formula_units_Z   3
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  0.38  0.39  1.0
  Ti  Ti1  1  -0.0  0.14  0.22  1.0
  Ti  Ti2  1  -0.0  0.72  0.0  1.0
  Ti  Ti3  1  0.07  0.19  0.41  1.0
  Ti  Ti4  1  0.07  0.42  0.2  1.0
  Ti  Ti5  1  0.07  0.63  0.0  1.0
  Os  Os6  1  0.0  0.0  0.0  1.0
  Os  Os7  1  0.07  0.0  0.74  1.0
  Os  Os8  1  0.07  0.24  0.87  1.0

Ti Ti Ti Ti Ti Ti Os Os Os