data_[Tb20Pr4Tm8Th4]
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
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.7380]
_cell_length_b [21.3310]
_cell_length_c [9.7248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb5PrTm2Th]
_chemical_formula_sum '[Tb20 Pr4 Tm8 Th4]'
_cell_volume [1190.2837]
_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  4  0.0000  0.0132  0.5163  1
  Tb  Tb1  4  0.0000  0.2673  0.8339  1
  Tb  Tb2  4  0.0000  0.3048  0.2157  1
  Tb  Tb3  4  0.0000  0.3929  0.5370  1
  Tb  Tb4  4  0.0000  0.4707  0.2431  1
  Pr  Pr5  4  0.0000  0.4044  0.9223  1
  Tm  Tm6  4  0.0000  0.1123  0.8241  1
  Tm  Tm7  4  0.0000  0.1334  0.2069  1
  Th  Th8  4  0.0000  0.1901  0.5247  1
]