data_[Tb8Tm12Th4]
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 [C2/m]
_cell_length_a [11.1691]
_cell_length_b [5.0015]
_cell_length_c [14.1173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Tm3Th]
_chemical_formula_sum '[Tb8 Tm12 Th4]'
_cell_volume [748.5785]
_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  0.0021  0.0000  0.3733  1
  Tb  Tb1  4  0.0028  0.0000  0.1276  1
  Tm  Tm2  4  0.1666  0.5000  0.0425  1
  Tm  Tm3  4  0.1673  0.5000  0.7914  1
  Tm  Tm4  4  0.1698  0.5000  0.5432  1
  Th  Th5  4  0.1679  0.5000  0.2910  1
]