data_[La2Dy12Th6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.2037]
_cell_length_b [3.5118]
_cell_length_c [14.2803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(Dy2Th)3]
_chemical_formula_sum '[La2 Dy12 Th6]'
_cell_volume [656.7004]
_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
[
  La  La0  2  0.3170  0.2500  0.1057  1
  Dy  Dy1  2  0.0578  0.7500  0.0992  1
  Dy  Dy2  2  0.1221  0.7500  0.4998  1
  Dy  Dy3  2  0.2249  0.7500  0.2981  1
  Dy  Dy4  2  0.2532  0.2500  0.7046  1
  Dy  Dy5  2  0.3715  0.2500  0.4787  1
  Dy  Dy6  2  0.4244  0.7500  0.8949  1
  Th  Th7  2  0.0047  0.7500  0.6994  1
  Th  Th8  2  0.1739  0.7500  0.8977  1
  Th  Th9  2  0.4836  0.7500  0.2948  1
]