data_[Ac8Dy8Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Dy  1.2200  1.7500  1.1310
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.1357]
_cell_length_b [12.9133]
_cell_length_c [7.5001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [AcDyFe]
_chemical_formula_sum '[Ac8 Dy8 Fe8]'
_cell_volume [691.0977]
_cell_formula_units_Z [8]
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
[
  Ac  Ac0  8  0.0000  0.1980  0.6128  1
  Dy  Dy1  8  0.2500  0.0375  0.2500  1
  Fe  Fe2  8  0.0000  0.0841  0.9603  1
]