data_[Tb12Pr2Th1]
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 [Pmmm]
_cell_length_a [3.5179]
_cell_length_b [5.7496]
_cell_length_c [24.8848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Tb12Pr2Th]
_chemical_formula_sum '[Tb12 Pr2 Th1]'
_cell_volume [503.3342]
_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  0.0000  0.1981  1
  Tb  Tb1  2  0.0000  0.0000  0.3266  1
  Tb  Tb2  2  0.0000  0.5000  0.1242  1
  Tb  Tb3  2  0.0000  0.5000  0.4155  1
  Tb  Tb4  2  0.5000  0.0000  0.0755  1
  Tb  Tb5  2  0.5000  0.0000  0.4375  1
  Pr  Pr6  2  0.5000  0.5000  0.2682  1
  Th  Th7  1  0.5000  0.5000  0.0000  1
]