data_[Tb10Tm16Th2]
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 [I-4]
_cell_length_a [9.5476]
_cell_length_b [9.5476]
_cell_length_c [9.8709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tb5Tm8Th]
_chemical_formula_sum '[Tb10 Tm16 Th2]'
_cell_volume [899.7920]
_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  8  0.1159  0.7839  0.9160  1
  Tb  Tb1  2  0.0000  0.0000  0.5000  1
  Tm  Tm2  8  0.0702  0.6725  0.5837  1
  Tm  Tm3  8  0.0920  0.8295  0.2455  1
  Th  Th4  2  0.0000  0.5000  0.2500  1
]