data_TiOs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.66
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOs2Pt
_chemical_formula_sum   'Ti1 Os2 Pt1'
_cell_volume   61.26
_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  Ti3  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.85  0.33  0.17  1.0
  Os  Os1  1  0.79  0.33  0.63  1.0
  Pt  Pt2  1  0.32  0.0  0.4  1.0

data_TiOs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.66
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   91.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiOs2Pt
_chemical_formula_sum   'Ti1 Os2 Pt1'
_cell_volume   61.26
_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  0.0  1.0
  Os  Os1  1  0.79  0.33  0.63  1.0
  Os  Os2  1  0.85  0.33  0.17  1.0
  Pt  Pt3  1  0.32  0.0  0.4  1.0

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