data_[Dy2Tm8Th12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.3700]
_cell_length_b [6.3700]
_cell_length_c [17.9497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Dy(Tm2Th3)2]
_chemical_formula_sum '[Dy2 Tm8 Th12]'
_cell_volume [728.3465]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.5000  1
  Tm  Tm1  8  0.1839  0.1839  0.8733  1
  Th  Th2  8  0.1881  0.1881  0.6885  1
  Th  Th3  4  0.0000  0.5000  0.0000  1
]