data_SiSb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   5.35
_cell_angle_alpha   114.69
_cell_angle_beta   114.69
_cell_angle_gamma   35.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Pb
_chemical_formula_sum   'Si1 Sb2 Pb1'
_cell_volume   104.55
_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  0.73  0.0  0.92  1.0
  Sb  Sb2  1  0.64  0.0  0.88  1.0
  Pb  Pb0  1  0.69  0.0  0.4  1.0

data_SiSb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.35
_cell_length_c   6.15
_cell_angle_alpha   114.69
_cell_angle_beta   107.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2Pb
_chemical_formula_sum   'Si1 Sb2 Pb1'
_cell_volume   104.55
_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  0.0  0.88  0.64  1.0
  Sb  Sb2  1  0.0  0.92  0.73  1.0
  Pb  Pb3  1  0.0  0.4  0.69  1.0

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