data_SiPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   66.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtPb2
_chemical_formula_sum   'Si1 Pt1 Pb2'
_cell_volume   99.75
_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  0.69  1.0
  Pt  Pt2  1  0.16  0.0  0.66  1.0
  Pb  Pb0  1  0.16  0.0  0.81  1.0
  Pb  Pb1  1  0.0  0.0  0.63  1.0

data_SiPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   113.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtPb2
_chemical_formula_sum   'Si1 Pt1 Pb2'
_cell_volume   99.75
_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  0.31  1.0
  Pt  Pt1  1  0.84  0.0  0.34  1.0
  Pb  Pb2  1  0.0  0.0  0.37  1.0
  Pb  Pb3  1  0.84  0.0  0.19  1.0

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