data_[Tb12Sc20Pb8]
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 [C2/c]
_cell_length_a [11.7024]
_cell_length_b [14.7806]
_cell_length_c [6.3129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3Sc5Pb2]
_chemical_formula_sum '[Tb12 Sc20 Pb8]'
_cell_volume [1080.7924]
_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  0.1205  0.2370  0.0895  1.0
  Tb  Tb1  4  0.0000  0.0282  0.2500  1.0
  Sc  Sc2  8  0.1193  0.3472  0.6179  1.0
  Sc  Sc3  8  0.2294  0.4582  0.0147  1.0
  Sc  Sc4  4  0.0000  0.4692  0.2500  1.0
  Pb  Pb5  8  0.1503  0.1465  0.6027  1.0
]