data_[Dy3Er12Pu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9361]
_cell_length_b [4.9361]
_cell_length_c [19.7281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Dy3Er12Pu]
_chemical_formula_sum '[Dy3 Er12 Pu1]'
_cell_volume [480.6679]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.2456  1
  Dy  Dy1  1  0.0000  0.0000  0.5000  1
  Er  Er2  4  0.0000  0.5000  0.1186  1
  Er  Er3  4  0.0000  0.5000  0.3729  1
  Er  Er4  2  0.5000  0.5000  0.2482  1
  Er  Er5  1  0.5000  0.5000  0.0000  1
  Er  Er6  1  0.5000  0.5000  0.5000  1
  Pu  Pu7  1  0.0000  0.0000  0.0000  1
]