data_[Tb4Pr8Th1]
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 [P1]
_cell_length_a [6.2385]
_cell_length_b [6.8745]
_cell_length_c [12.2131]
_cell_angle_alpha [86.6222]
_cell_angle_beta [75.4698]
_cell_angle_gamma [64.0963]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tb4Pr8Th]
_chemical_formula_sum '[Tb4 Pr8 Th1]'
_cell_volume [455.3147]
_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  1  0.0027  0.0452  0.5018  1
  Tb  Tb1  1  0.2324  0.7939  0.9784  1
  Tb  Tb2  1  0.6048  0.2676  0.0431  1
  Tb  Tb3  1  0.6179  0.5672  0.4267  1
  Pr  Pr4  1  0.0737  0.1980  0.1915  1
  Pr  Pr5  1  0.1338  0.3137  0.8863  1
  Pr  Pr6  1  0.1622  0.6540  0.2766  1
  Pr  Pr7  1  0.4540  0.9836  0.6341  1
  Pr  Pr8  1  0.5365  0.1110  0.3464  1
  Pr  Pr9  1  0.5765  0.4545  0.7272  1
  Pr  Pr10  1  0.6944  0.7279  0.1121  1
  Pr  Pr11  1  0.8281  0.8726  0.8112  1
  Th  Th12  1  0.0829  0.5108  0.5646  1
]