data_[Dy18Mn18Ru18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.2869]
_cell_length_b [5.2869]
_cell_length_c [39.1582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [DyMnRu]
_chemical_formula_sum '[Dy18 Mn18 Ru18]'
_cell_volume [947.8850]
_cell_formula_units_Z [18]
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  6  0.0000  0.0000  0.0407  1.0
  Dy  Dy1  6  0.0000  0.0000  0.1805  1.0
  Dy  Dy2  6  0.0000  0.0000  0.2640  1.0
  Mn  Mn3  18  0.0008  0.5004  0.2214  1.0
  Ru  Ru4  9  0.0000  0.5000  0.0000  1.0
  Ru  Ru5  6  0.0000  0.0000  0.3917  1.0
  Ru  Ru6  3  -0.0000  -0.0000  0.5000  1.0
]