data_Ti2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   8.11
_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   'Ti8 Os4'
_cell_volume   179.7
_cell_formula_units_Z   4
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  Ti4  1  0.0  0.0  0.0  1.0
  Ti  Ti5  1  0.0  0.0  0.06  1.0
  Ti  Ti6  1  0.0  0.52  0.09  1.0
  Ti  Ti7  1  0.79  0.62  0.09  1.0
  Ti  Ti8  1  0.32  0.76  0.03  1.0
  Ti  Ti9  1  0.21  0.62  0.09  1.0
  Ti  Ti10  1  0.74  0.76  0.03  1.0
  Ti  Ti11  1  0.53  0.86  0.03  1.0
  Os  Os0  1  0.0  0.92  0.49  1.0
  Os  Os1  1  0.0  0.92  0.57  1.0
  Os  Os2  1  0.53  0.46  0.55  1.0
  Os  Os3  1  0.53  0.46  0.62  1.0

data_Ti2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   8.11
_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   'Ti8 Os4'
_cell_volume   179.7
_cell_formula_units_Z   4
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
  Ti  Ti1  1  0.0  0.0  0.06  1.0
  Ti  Ti2  1  0.0  0.52  0.09  1.0
  Ti  Ti3  1  0.21  0.62  0.09  1.0
  Ti  Ti4  1  0.32  0.76  0.03  1.0
  Ti  Ti5  1  0.53  0.86  0.03  1.0
  Ti  Ti6  1  0.74  0.76  0.03  1.0
  Ti  Ti7  1  0.79  0.62  0.09  1.0
  Os  Os8  1  0.0  0.92  0.49  1.0
  Os  Os9  1  0.0  0.92  0.57  1.0
  Os  Os10  1  0.53  0.46  0.55  1.0
  Os  Os11  1  0.53  0.46  0.62  1.0

Ti Ti Ti Ti Ti Ti Ti Ti Os Os Os Os