data_[Dy6Al6Fe12]
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 [P-3m1]
_cell_length_a [5.2820]
_cell_length_b [5.2820]
_cell_length_c [16.2865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [DyAlFe2]
_chemical_formula_sum '[Dy6 Al6 Fe12]'
_cell_volume [393.5157]
_cell_formula_units_Z [6]
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  2  0.3333  0.6667  0.0313  1
  Dy  Dy1  2  0.3333  0.6667  0.2612  1
  Dy  Dy2  2  0.3333  0.6667  0.4666  1
  Al  Al3  6  0.1642  0.8358  0.8645  1
  Fe  Fe4  6  0.1658  0.3316  0.6242  1
  Fe  Fe5  2  0.0000  0.0000  0.2628  1
  Fe  Fe6  2  0.3333  0.6667  0.7379  1
  Fe  Fe7  1  0.0000  0.0000  0.0000  1
  Fe  Fe8  1  0.0000  0.0000  0.5000  1
]