data_Ti2MoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MoOs
_chemical_formula_sum   'Ti2 Mo1 Os1'
_cell_volume   63.87
_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  0.15  1.0
  Ti  Ti3  1  0.58  0.0  0.52  1.0
  Mo  Mo0  1  0.0  0.0  0.35  1.0
  Os  Os1  1  0.58  0.0  0.15  1.0

data_Ti2MoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MoOs
_chemical_formula_sum   'Ti2 Mo1 Os1'
_cell_volume   63.87
_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  0.15  1.0
  Ti  Ti1  1  0.58  0.0  0.52  1.0
  Mo  Mo2  1  0.0  0.0  0.35  1.0
  Os  Os3  1  0.58  0.0  0.15  1.0

Ti Ti Mo Os
Ti Ti Mo Os 0 3 - o o 0 2 o o o 1 2 o o o 1 2 + o o 2 3 - o o 