data_TiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25
_cell_length_b   7.48
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOs
_chemical_formula_sum   'Ti12 Os12'
_cell_volume   371.5
_cell_formula_units_Z   12
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  Ti12  1  0.12  0.1  0.34  1.0
  Ti  Ti13  1  0.12  0.38  0.03  1.0
  Ti  Ti14  1  0.12  0.36  0.34  1.0
  Ti  Ti15  1  0.12  0.12  0.03  1.0
  Ti  Ti16  1  0.08  0.02  0.34  1.0
  Ti  Ti17  1  0.17  0.46  0.03  1.0
  Ti  Ti18  1  0.17  0.76  0.34  1.0
  Ti  Ti19  1  0.08  0.72  0.03  1.0
  Ti  Ti20  1  0.86  0.87  0.0  1.0
  Ti  Ti21  1  0.39  0.61  0.69  1.0
  Ti  Ti22  1  0.39  0.61  0.0  1.0
  Ti  Ti23  1  0.86  0.87  0.69  1.0
  Os  Os0  1  0.27  0.75  0.34  1.0
  Os  Os1  1  0.98  0.73  0.03  1.0
  Os  Os2  1  0.98  0.01  0.34  1.0
  Os  Os3  1  0.27  0.47  0.03  1.0
  Os  Os4  1  0.04  0.41  0.34  1.0
  Os  Os5  1  0.2  0.07  0.03  1.0
  Os  Os6  1  0.2  0.15  0.34  1.0
  Os  Os7  1  0.04  0.33  0.03  1.0
  Os  Os8  1  0.93  0.87  0.0  1.0
  Os  Os9  1  0.32  0.61  0.69  1.0
  Os  Os10  1  0.32  0.61  0.0  1.0
  Os  Os11  1  0.93  0.87  0.69  1.0

data_TiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.37
_cell_length_b   7.48
_cell_length_c   9.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOs
_chemical_formula_sum   'Ti12 Os12'
_cell_volume   371.5
_cell_formula_units_Z   12
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  0.13  0.14  1.0
  Ti  Ti1  1  0.0  0.39  0.61  1.0
  Ti  Ti2  1  0.31  0.13  0.14  1.0
  Ti  Ti3  1  0.31  0.39  0.61  1.0
  Ti  Ti4  1  0.66  0.24  0.83  1.0
  Ti  Ti5  1  0.66  0.64  0.88  1.0
  Ti  Ti6  1  0.66  0.9  0.88  1.0
  Ti  Ti7  1  0.66  0.98  0.92  1.0
  Ti  Ti8  1  0.97  0.28  0.92  1.0
  Ti  Ti9  1  0.97  0.54  0.83  1.0
  Ti  Ti10  1  0.97  0.62  0.88  1.0
  Ti  Ti11  1  0.97  0.88  0.88  1.0
  Os  Os12  1  0.0  0.13  0.07  1.0
  Os  Os13  1  0.0  0.39  0.68  1.0
  Os  Os14  1  0.31  0.13  0.07  1.0
  Os  Os15  1  0.31  0.39  0.68  1.0
  Os  Os16  1  0.66  0.25  0.73  1.0
  Os  Os17  1  0.66  0.59  0.96  1.0
  Os  Os18  1  0.66  0.85  0.8  1.0
  Os  Os19  1  0.66  0.99  0.02  1.0
  Os  Os20  1  0.97  0.27  0.02  1.0
  Os  Os21  1  0.97  0.53  0.73  1.0
  Os  Os22  1  0.97  0.67  0.96  1.0
  Os  Os23  1  0.97  0.93  0.8  1.0

Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Os Os Os Os Os Os Os Os Os Os Os Os
Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Os Os Os Os Os Os Os Os Os Os Os Os 0 4 o o o 0 18 o o o 1 19 o o o 1 5 o o o 2 16 o o o 3 17 o o o 4 14 - o o 5 15 o o o 6 12 o o o 7 13 - o o 8 20 o o o 9 21 o o o 10 22 o o o 11 23 o o o 