data_[Dy12Ho12Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8337]
_cell_length_b [9.6898]
_cell_length_c [10.5292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy3Ho3Th]
_chemical_formula_sum '[Dy12 Ho12 Th4]'
_cell_volume [901.0794]
_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
[
  Dy  Dy0  8  0.1943  0.3216  0.2468  1
  Dy  Dy1  4  0.0281  0.0000  0.2525  1
  Ho  Ho2  4  0.0000  0.1830  0.0000  1
  Ho  Ho3  4  0.0000  0.1899  0.5000  1
  Ho  Ho4  4  0.1770  0.5000  0.5619  1
  Th  Th5  4  0.1656  0.5000  0.9192  1
]