data_Si2SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.98
_cell_angle_alpha   116.13
_cell_angle_beta   116.13
_cell_angle_gamma   38.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnPb
_chemical_formula_sum   'Si2 Sn1 Pb1'
_cell_volume   101.23
_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  Si1  1  0.21  0.0  0.57  1.0
  Si  Si2  1  0.44  0.0  0.73  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.82  0.0  0.65  1.0

data_Si2SnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.53
_cell_length_c   5.98
_cell_angle_alpha   116.13
_cell_angle_beta   90.0
_cell_angle_gamma   109.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnPb
_chemical_formula_sum   'Si2 Sn1 Pb1'
_cell_volume   101.23
_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  0.56  0.27  1.0
  Si  Si1  1  0.0  0.79  0.43  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.18  0.35  1.0

Si Si Sn Pb