data_[Tb8Sc4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [16.2034]
_cell_length_b [6.3535]
_cell_length_c [6.6477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb2ScPb3]
_chemical_formula_sum '[Tb8 Sc4 Pb12]'
_cell_volume [684.3780]
_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
[
  Tb  Tb0  8  0.1638  0.2164  0.2500  1
  Sc  Sc1  4  0.0000  0.5000  0.0000  1
  Pb  Pb2  8  0.1425  0.2911  0.7500  1
  Pb  Pb3  4  0.0000  0.0000  0.0000  1
]