data_[Dy12U4Fe12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5361]
_cell_length_b [12.0501]
_cell_length_c [7.0154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy3UFe3]
_chemical_formula_sum '[Dy12 U4 Fe12]'
_cell_volume [600.6722]
_cell_formula_units_Z [4]
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  4  0.0000  0.2106  0.5000  1
  Dy  Dy1  4  0.0000  0.2591  0.0000  1
  Dy  Dy2  4  0.1574  0.5000  0.3869  1
  U  U3  4  0.2157  0.0000  0.9983  1
  Fe  Fe4  8  0.2037  0.3864  0.7454  1
  Fe  Fe5  4  0.0033  0.0000  0.2791  1
]