data_ScSbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   4.89
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSbPb2
_chemical_formula_sum   'Sc1 Sb1 Pb2'
_cell_volume   110.2
_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  Sc3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.11  1.0
  Pb  Pb0  1  0.81  0.45  0.53  1.0
  Pb  Pb1  1  0.81  0.45  0.7  1.0

data_ScSbPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.89
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSbPb2
_chemical_formula_sum   'Sc1 Sb1 Pb2'
_cell_volume   110.2
_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  Sc0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.11  1.0
  Pb  Pb2  1  0.81  0.45  0.53  1.0
  Pb  Pb3  1  0.81  0.45  0.7  1.0

Sc Sb Pb Pb
Sc Sb Pb Pb 0 1 o o o 2 3 o o o 