data_Ti2OsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsPd
_chemical_formula_sum   'Ti2 Os1 Pd1'
_cell_volume   62.79
_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  0.52  0.0  0.03  1.0
  Ti  Ti3  1  0.0  0.0  0.52  1.0
  Os  Os0  1  0.52  0.0  0.57  1.0
  Pd  Pd1  1  0.0  0.0  0.18  1.0

data_Ti2OsPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsPd
_chemical_formula_sum   'Ti2 Os1 Pd1'
_cell_volume   62.79
_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  0.52  1.0
  Ti  Ti1  1  0.52  0.0  0.03  1.0
  Pd  Pd2  1  0.0  0.0  0.18  1.0
  Os  Os3  1  0.52  0.0  0.57  1.0

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