data_ScSnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01
_cell_length_b   11.01
_cell_length_c   11.01
_cell_angle_alpha   18.09
_cell_angle_beta   18.09
_cell_angle_gamma   18.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnPb2
_chemical_formula_sum   'Sc1 Sn1 Pb2'
_cell_volume   112.2
_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
  Sc  Sc2  1  0.0  0.0  0.15  1.0
  Sn  Sn3  1  0.0  0.0  0.59  1.0
  Pb  Pb0  1  0.0  0.0  0.08  1.0
  Pb  Pb1  1  0.0  0.0  0.88  1.0

data_ScSnPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   3.46
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   100.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSnPb2
_chemical_formula_sum   'Sc2 Sn2 Pb4'
_cell_volume   224.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  -0.0  0.0  0.85  1.0
  Sn  Sn1  2  -0.0  0.0  0.41  1.0
  Pb  Pb2  2  -0.0  0.0  0.92  1.0
  Pb  Pb3  2  -0.0  0.0  0.12  1.0

Sc Sn Pb Pb
Sc Sn Pb Pb 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o - 