data_[Tb8Th8Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9358]
_cell_length_b [4.9462]
_cell_length_c [7.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Th2Sc]
_chemical_formula_sum '[Tb8 Th8 Sc4]'
_cell_volume [612.2906]
_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  0.0981  0.5000  0.0411  1
  Tb  Tb1  4  0.1984  0.0000  0.3480  1
  Th  Th2  4  0.0964  0.5000  0.5494  1
  Th  Th3  4  0.1994  0.0000  0.8455  1
  Sc  Sc4  4  0.0017  0.0000  0.7381  1
]