data_SiPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   4.5
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt2Pb
_chemical_formula_sum   'Si1 Pt2 Pb1'
_cell_volume   73.06
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.69  0.25  0.0  1.0
  Pt  Pt2  1  0.69  0.0  0.4  1.0
  Pb  Pb0  1  0.0  0.25  0.4  1.0

data_SiPt2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.5
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt2Pb
_chemical_formula_sum   'Si1 Pt2 Pb1'
_cell_volume   73.06
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.69  0.0  0.4  1.0
  Pt  Pt2  1  0.69  0.25  0.0  1.0
  Pb  Pb3  1  -0.0  0.25  0.4  1.0

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