data_[Dy3Al18Fe9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3592]
_cell_length_b [5.3592]
_cell_length_c [19.1822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Dy(Al2Fe)3]
_chemical_formula_sum '[Dy3 Al18 Fe9]'
_cell_volume [477.1226]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0103  1
  Al  Al1  9  0.0013  0.5007  0.1130  1
  Al  Al2  9  0.1667  0.3335  0.2473  1
  Fe  Fe3  3  0.0000  0.0000  0.3509  1
  Fe  Fe4  3  0.0000  0.0000  0.6825  1
  Fe  Fe5  3  0.0000  0.0000  0.8731  1
]