data_[Dy4Th8Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7360]
_cell_length_b [3.8587]
_cell_length_c [11.1577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy(ThRu)2]
_chemical_formula_sum '[Dy4 Th8 Ru8]'
_cell_volume [488.0887]
_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  4  0.2004  0.5000  0.3625  1
  Th  Th1  4  0.0550  0.0000  0.7022  1
  Th  Th2  4  0.1634  0.0000  0.0774  1
  Ru  Ru3  4  0.0276  0.5000  0.8868  1
  Ru  Ru4  4  0.1218  0.5000  0.5747  1
]