data_TiOsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   154.32
_cell_angle_beta   154.32
_cell_angle_gamma   36.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOsRu
_chemical_formula_sum   'Ti1 Os1 Ru1'
_cell_volume   45.19
_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  0.88  1.0
  Os  Os0  1  0.0  0.0  0.7  1.0
  Ru  Ru1  1  0.0  0.0  0.06  1.0

data_TiOsRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   108.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiOsRu
_chemical_formula_sum   'Ti2 Os2 Ru2'
_cell_volume   90.39
_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  0.12  1.0
  Os  Os1  2  0.0  0.0  0.3  1.0
  Ru  Ru2  2  0.0  0.0  0.94  1.0

Ti Os Ru
Ti Os Ru 0 1 o o o 0 2 o o + 