data_[Dy6Al15Fe36]
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 [8.5550]
_cell_length_b [8.5550]
_cell_length_c [12.5854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Dy2Al5Fe12]
_chemical_formula_sum '[Dy6 Al15 Fe36]'
_cell_volume [797.6946]
_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  0.3372  1.0
  Dy  Dy1  3  0.0000  0.0000  0.6532  1.0
  Al  Al2  9  0.0085  0.5043  0.1532  1.0
  Al  Al3  3  0.0000  0.0000  0.1014  1.0
  Al  Al4  3  0.0000  0.0000  0.8987  1.0
  Fe  Fe5  18  0.0001  0.2914  0.0006  1.0
  Fe  Fe6  9  0.0114  0.5057  0.8470  1.0
  Fe  Fe7  9  0.1667  0.3334  0.8352  1.0
]