data_[Li4Dy8Pu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0730]
_cell_length_b [16.9919]
_cell_length_c [12.3648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiDy2PuSe5]
_chemical_formula_sum '[Li4 Dy8 Pu4 Se20]'
_cell_volume [855.7388]
_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
[
  Li  Li0  4  0.0000  0.4828  0.4793  1
  Dy  Dy1  4  0.0000  0.1087  0.6842  1
  Dy  Dy2  4  0.0000  0.1245  0.2948  1
  Pu  Pu3  4  0.0000  0.1972  0.0017  1
  Se  Se4  4  0.0000  0.0450  0.0775  1
  Se  Se5  4  0.0000  0.2876  0.6650  1
  Se  Se6  4  0.0000  0.3090  0.3376  1
  Se  Se7  4  0.0000  0.3660  0.0005  1
  Se  Se8  4  0.0000  0.4999  0.7833  1
]