data_[Tb4Sc12Pb4]
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 [Pnma]
_cell_length_a [6.6081]
_cell_length_b [9.6432]
_cell_length_c [8.5790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbSc3Pb]
_chemical_formula_sum '[Tb4 Sc12 Pb4]'
_cell_volume [546.6841]
_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  4  0.2057  0.7500  0.1403  1
  Sc  Sc1  8  0.1034  0.5390  0.8366  1
  Sc  Sc2  4  0.2379  0.2500  0.0391  1
  Pb  Pb3  4  0.0000  0.0000  0.5000  1
]