data_SiSbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   5.0
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSbPb2
_chemical_formula_sum   'Si1 Sb1 Pb2'
_cell_volume   109.86
_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  0.98  0.0  0.9  1.0
  Sb  Sb2  1  0.85  0.5  0.47  1.0
  Pb  Pb0  1  0.54  0.5  0.45  1.0
  Pb  Pb1  1  0.38  0.0  0.62  1.0

data_SiSbPb2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.34
_cell_length_b   5.0
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SiSbPb2
_chemical_formula_sum   'Si1 Sb1 Pb2'
_cell_volume   109.86
_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  0.98  0.0  0.9  1.0
  Sb  Sb1  1  0.85  0.5  0.47  1.0
  Pb  Pb2  1  0.38  0.0  0.62  1.0
  Pb  Pb3  1  0.54  0.5  0.45  1.0

Si Sb Pb Pb
Si Sb Pb Pb 0 3 o o o 0 3 + o o 1 2 o o o 1 3 + + o 1 3 + o o 2 3 o + o 2 3 o o o 