data_[Tb16Pr4Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3329]
_cell_length_b [6.8692]
_cell_length_c [5.6564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Pr2Th]
_chemical_formula_sum '[Tb16 Pr4 Th2]'
_cell_volume [749.3429]
_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  0.1266  0.2602  0.7247  1
  Tb  Tb1  4  0.0487  0.5000  0.2283  1
  Tb  Tb2  4  0.1813  0.0000  0.2231  1
  Pr  Pr3  4  0.2187  0.5000  0.2529  1
  Th  Th4  2  0.0000  0.0000  0.0000  1
]