data_[La6Sc4Pb8]
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/m]
_cell_length_a [13.1128]
_cell_length_b [4.8018]
_cell_length_c [9.7897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(ScPb2)2]
_chemical_formula_sum '[La6 Sc4 Pb8]'
_cell_volume [564.4203]
_cell_formula_units_Z [2]
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  4  0.1260  0.5000  0.6964  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  4  0.1885  0.5000  0.3620  1.0
  Pb  Pb3  4  0.0759  0.0000  0.3956  1.0
  Pb  Pb4  4  0.1995  0.5000  0.0689  1.0
]