data_ScPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   5.72
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   93.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPb2Cl
_chemical_formula_sum   'Sc1 Pb2 Cl1'
_cell_volume   114.74
_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  0.86  0.0  0.61  1.0
  Pb  Pb1  1  0.86  0.86  0.83  1.0
  Pb  Pb2  1  0.69  0.86  0.4  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScPb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   5.23
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPb2Cl
_chemical_formula_sum   'Sc1 Pb2 Cl1'
_cell_volume   114.74
_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  0.14  0.39  0.0  1.0
  Pb  Pb1  1  0.14  0.17  0.14  1.0
  Pb  Pb2  1  0.31  0.6  0.14  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Pb Pb Cl