data_[Sc8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.0597]
_cell_length_b [6.2015]
_cell_length_c [10.8186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [ScPb]
_chemical_formula_sum '[Sc8 Pb8]'
_cell_volume [406.5555]
_cell_formula_units_Z [8]
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  4  0.0774  0.3993  0.7162  1.0
  Sc  Sc1  4  0.1857  0.1405  0.0382  1.0
  Pb  Pb2  4  0.0817  0.9459  0.2881  1.0
  Pb  Pb3  4  0.1947  0.6229  0.9611  1.0
]