data_[Tb10Th8Sc8]
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 [I4/m]
_cell_length_a [12.4904]
_cell_length_b [12.4904]
_cell_length_c [4.9593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tb5(ThSc)4]
_chemical_formula_sum '[Tb10 Th8 Sc8]'
_cell_volume [773.7042]
_cell_formula_units_Z [2]
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  0.0408  0.1937  0.5000  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Th  Th2  8  0.0758  0.3817  0.0000  1
  Sc  Sc3  8  0.1549  0.7660  0.0000  1
]