data_[Tb20Pm12Th8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8366]
_cell_length_b [17.4052]
_cell_length_c [8.9492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.1934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb5Pm3Th2]
_chemical_formula_sum '[Tb20 Pm12 Th8]'
_cell_volume [1344.6134]
_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  8  0.2495  0.1181  0.2511  1
  Tb  Tb1  4  0.0000  0.0311  0.7500  1
  Tb  Tb2  4  0.0000  0.2799  0.2500  1
  Tb  Tb3  4  0.0000  0.4677  0.2500  1
  Pm  Pm4  8  0.1438  0.1235  0.5369  1
  Pm  Pm5  4  0.0000  0.2214  0.7500  1
  Th  Th6  8  0.1366  0.3776  0.0234  1
]