data_[Tb12Tm2Th8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.4295]
_cell_length_b [5.8445]
_cell_length_c [35.7694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb6TmTh4]
_chemical_formula_sum '[Tb12 Tm2 Th8]'
_cell_volume [716.9440]
_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  4  0.0000  0.5000  0.1311  1
  Tb  Tb1  4  0.0000  0.5000  0.2327  1
  Tb  Tb2  4  0.0000  0.5000  0.4050  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
  Th  Th4  4  0.0000  0.0000  0.1819  1
  Th  Th5  4  0.0000  0.0000  0.4565  1
]