data_TiSiPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   3.85
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiPt2
_chemical_formula_sum   'Ti1 Si1 Pt2'
_cell_volume   61.07
_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  0.46  0.93  0.17  1.0
  Si  Si2  1  0.0  0.0  0.48  1.0
  Pt  Pt0  1  0.0  0.0  0.3  1.0
  Pt  Pt1  1  0.46  0.93  0.6  1.0

data_TiSiPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   3.85
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiPt2
_chemical_formula_sum   'Ti1 Si1 Pt2'
_cell_volume   61.07
_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  0.46  0.93  0.17  1.0
  Si  Si1  1  0.0  0.0  0.48  1.0
  Pt  Pt2  1  0.0  0.0  0.3  1.0
  Pt  Pt3  1  0.46  0.93  0.6  1.0

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