data_[Dy1Y9Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0538]
_cell_length_b [5.0538]
_cell_length_c [15.1426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [DyY9Th2]
_chemical_formula_sum '[Dy1 Y9 Th2]'
_cell_volume [386.7612]
_cell_formula_units_Z [1]
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
[
  Y  Y0  4  0.0000  0.5000  0.1684  1
  Y  Y1  2  0.0000  0.5000  0.5000  1
  Y  Y2  2  0.5000  0.5000  0.3330  1
  Dy  Dy3  1  0.0000  0.0000  0.0000  1
  Y  Y4  1  0.5000  0.5000  0.0000  1
  Th  Th5  2  0.0000  0.0000  0.3341  1
]