data_[Dy12Ho20Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.9691]
_cell_length_b [14.7393]
_cell_length_c [8.0012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Dy3Ho5Ru2]
_chemical_formula_sum '[Dy12 Ho20 Ru8]'
_cell_volume [1175.6737]
_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  8  0.2331  0.3753  0.5000  1
  Dy  Dy1  4  0.0000  0.0000  0.2500  1
  Ho  Ho2  8  0.0000  0.2521  0.2500  1
  Ho  Ho3  8  0.2333  0.3751  0.0000  1
  Ho  Ho4  4  0.0000  0.5000  0.2500  1
  Ru  Ru5  8  0.0001  0.1306  0.5000  1
]