data_SiPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   6.97
_cell_angle_alpha   106.8
_cell_angle_beta   106.8
_cell_angle_gamma   57.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtPb2
_chemical_formula_sum   'Si1 Pt1 Pb2'
_cell_volume   100.34
_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  0.45  1.0
  Pt  Pt2  1  0.56  0.0  0.48  1.0
  Pb  Pb0  1  0.03  0.0  0.57  1.0
  Pb  Pb1  1  0.1  0.0  0.36  1.0

data_SiPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.24
_cell_length_c   6.97
_cell_angle_alpha   106.8
_cell_angle_beta   90.0
_cell_angle_gamma   118.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtPb2
_chemical_formula_sum   'Si1 Pt1 Pb2'
_cell_volume   100.34
_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  1.0  0.55  1.0
  Pt  Pt1  1  0.0  0.44  0.52  1.0
  Pb  Pb2  1  0.0  0.9  0.64  1.0
  Pb  Pb3  1  0.0  0.97  0.43  1.0

Si Pt Pb Pb