data_Ti2OsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   145.5
_cell_angle_beta   131.8
_cell_angle_gamma   60.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsRu
_chemical_formula_sum   'Ti2 Os1 Ru1'
_cell_volume   59.46
_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  0.13  0.48  1.0
  Ti  Ti3  1  0.0  0.0  0.29  1.0
  Os  Os0  1  0.55  0.0  0.47  1.0
  Ru  Ru1  1  0.0  0.0  0.79  1.0

data_Ti2OsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.26
_cell_length_c   5.22
_cell_angle_alpha   114.1
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsRu
_chemical_formula_sum   'Ti2 Os1 Ru1'
_cell_volume   59.46
_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  0.29  0.29  1.0
  Ti  Ti1  1  0.87  0.35  0.35  1.0
  Os  Os2  1  0.0  0.47  0.93  1.0
  Ru  Ru3  1  0.0  0.79  0.79  1.0

Ti Ti Os Ru
Ti Ti Os Ru 0 1 o o o 2 3 + o o 