data_ScGaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91
_cell_length_b   9.91
_cell_length_c   9.91
_cell_angle_alpha   20.49
_cell_angle_beta   20.49
_cell_angle_gamma   20.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaPb2
_chemical_formula_sum   'Sc1 Ga1 Pb2'
_cell_volume   104.25
_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
  Ga  Ga0  1  0.0  0.0  0.54  1.0
  Pb  Pb1  1  0.0  0.0  0.25  1.0
  Pb  Pb2  1  0.0  0.0  0.83  1.0

data_ScGaPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   3.52
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   101.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScGaPb2
_chemical_formula_sum   'Sc2 Ga2 Pb4'
_cell_volume   208.5
_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
  Ga  Ga1  2  0.0  0.0  0.46  1.0
  Pb  Pb2  2  0.0  0.0  0.17  1.0
  Pb  Pb3  2  0.0  0.0  0.75  1.0

Sc Ga Pb Pb