data_SiSb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   4.24
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   99.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Pb
_chemical_formula_sum   'Si1 Sb2 Pb1'
_cell_volume   108.54
_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
  Sb  Sb1  1  0.47  0.12  0.28  1.0
  Sb  Sb2  1  0.21  0.12  0.44  1.0
  Pb  Pb0  1  0.43  0.0  0.36  1.0

data_SiSb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.24
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   99.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Pb
_chemical_formula_sum   'Si1 Sb2 Pb1'
_cell_volume   108.54
_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  0.0  1.0
  Sb  Sb1  1  0.21  0.12  0.44  1.0
  Sb  Sb2  1  0.47  0.12  0.28  1.0
  Pb  Pb3  1  0.43  0.0  0.36  1.0

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