data_[Sc20Sn8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [14.7514]
_cell_length_b [7.7835]
_cell_length_c [7.7288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc5(SnPb)2]
_chemical_formula_sum '[Sc20 Sn8 Pb8]'
_cell_volume [887.3967]
_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
[
  Sc  Sc0  16  0.1329  0.1660  0.3335  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Sn  Sn2  8  0.0000  0.1384  0.6380  1
  Pb  Pb3  8  0.2084  0.0000  0.0000  1
]