data_[La8Sc4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.5173]
_cell_length_b [6.5624]
_cell_length_c [6.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2ScPb3]
_chemical_formula_sum '[La8 Sc4 Pb12]'
_cell_volume [718.2369]
_cell_formula_units_Z [4]
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
[
  La  La0  8  0.1697  0.3765  0.1014  1.0
  Sc  Sc1  4  0.0000  0.1141  0.7500  1.0
  Pb  Pb2  8  0.1513  0.1156  0.5766  1.0
  Pb  Pb3  4  0.0000  0.3848  0.2500  1.0
]