data_[Tb8Th8Sb20]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.7748]
_cell_length_b [8.2773]
_cell_length_c [8.2949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb2Th2Sb5]
_chemical_formula_sum '[Tb8 Th8 Sb20]'
_cell_volume [1083.0924]
_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  0.0000  0.1526  0.6551  1
  Th  Th1  8  0.1934  0.0000  0.0000  1
  Sb  Sb2  16  0.1376  0.1534  0.3484  1
  Sb  Sb3  4  0.0000  0.0000  0.0000  1
]