data_ScInPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35
_cell_length_b   10.35
_cell_length_c   10.35
_cell_angle_alpha   19.72
_cell_angle_beta   19.72
_cell_angle_gamma   19.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInPb2
_chemical_formula_sum   'Sc1 In1 Pb2'
_cell_volume   110.56
_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  Sc3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.22  1.0
  Pb  Pb1  1  0.0  0.0  0.73  1.0
  Pb  Pb2  1  0.0  0.0  0.72  1.0

data_ScInPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.14
_cell_length_b   3.55
_cell_length_c   10.35
_cell_angle_alpha   90.0
_cell_angle_beta   101.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScInPb2
_chemical_formula_sum   'Sc2 In2 Pb4'
_cell_volume   221.13
_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  0.0  1.0
  In  In1  2  0.0  0.0  0.78  1.0
  Pb  Pb2  2  0.0  0.0  0.27  1.0
  Pb  Pb3  2  0.0  0.0  0.28  1.0

Sc In Pb Pb
Sc In Pb Pb 0 2 o o - 0 1 o o o 2 3 o o o 