data_SiAgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.98
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgPb2
_chemical_formula_sum   'Si1 Ag1 Pb2'
_cell_volume   97.75
_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  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.6  1.0
  Pb  Pb1  1  0.71  0.99  0.43  1.0
  Pb  Pb2  1  0.71  0.99  0.77  1.0

data_SiAgPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.41
_cell_length_b   3.98
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SiAgPb2
_chemical_formula_sum   'Si1 Ag1 Pb2'
_cell_volume   97.75
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ag  Ag1  1  0.0  0.0  0.6  1.0
  Pb  Pb2  1  0.71  0.0  0.43  1.0
  Pb  Pb3  1  0.71  0.0  0.77  1.0

Si Ag Pb Pb
Si Ag Pb Pb 0 3 - - - 1 2 - - o 1 3 - - o 