data_ScPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   4.59
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPbCl2
_chemical_formula_sum   'Sc1 Pb1 Cl2'
_cell_volume   97.31
_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
  Pb  Pb2  1  0.72  0.0  0.85  1.0
  Cl  Cl0  1  0.02  0.29  0.29  1.0
  Cl  Cl1  1  0.42  0.29  0.4  1.0

data_ScPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.59
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPbCl2
_chemical_formula_sum   'Sc1 Pb1 Cl2'
_cell_volume   97.31
_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
  Pb  Pb1  1  0.72  0.0  0.85  1.0
  Cl  Cl2  1  0.02  0.29  0.29  1.0
  Cl  Cl3  1  0.42  0.29  0.4  1.0

Sc Pb Cl Cl