data_[Tb3Th5]
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
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [5.0411]
_cell_length_b [5.0822]
_cell_length_c [10.0394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Tb3Th5]
_chemical_formula_sum '[Tb3 Th5]'
_cell_volume [257.2052]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.2455  1
  Tb  Tb1  1  0.5000  0.5000  0.5000  1
  Th  Th2  2  0.5000  0.0000  0.2490  1
  Th  Th3  1  0.0000  0.0000  0.0000  1
  Th  Th4  1  0.0000  0.0000  0.5000  1
  Th  Th5  1  0.5000  0.5000  0.0000  1
]