data_[Dy10Th8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [12.6174]
_cell_length_b [12.6174]
_cell_length_c [3.6208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Dy5Th4]
_chemical_formula_sum '[Dy10 Th8]'
_cell_volume [576.4225]
_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  8  0.1666  0.1666  0.5000  1
  Dy  Dy1  2  0.0000  0.0000  0.0000  1
  Th  Th2  8  0.0000  0.3364  0.0000  1
]