data_[La6Dy6Th8]
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 [Amm2]
_cell_length_a [3.8213]
_cell_length_b [13.5678]
_cell_length_c [13.4417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3Dy3Th4]
_chemical_formula_sum '[La6 Dy6 Th8]'
_cell_volume [696.9082]
_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  4  0.0000  0.2451  0.7503  1
  La  La1  2  0.5000  0.0000  0.1646  1
  Dy  Dy2  4  0.5000  0.1647  0.4999  1
  Dy  Dy3  2  0.5000  0.0000  0.8363  1
  Th  Th4  4  0.0000  0.1310  0.9992  1
  Th  Th5  2  0.0000  0.0000  0.3709  1
  Th  Th6  2  0.0000  0.0000  0.6295  1
]