data_[Dy4Er8Pu4Sc16]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.4738]
_cell_length_b [11.1473]
_cell_length_c [12.3485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [DyEr2PuSc4]
_chemical_formula_sum '[Dy4 Er8 Pu4 Sc16]'
_cell_volume [891.1397]
_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  0.2500  0.2500  0.2500  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Er  Er2  4  0.2500  0.2500  0.7500  1
  Pu  Pu3  4  0.0000  0.0000  0.5000  1
  Sc  Sc4  8  0.0000  0.0009  0.7382  1
  Sc  Sc5  8  0.2352  0.2500  0.5010  1
]