data_[Li4Er2Pu6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4803]
_cell_length_b [3.8051]
_cell_length_c [11.2151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Er(PuSe2)3]
_chemical_formula_sum '[Li4 Er2 Pu6 Se12]'
_cell_volume [570.9671]
_cell_formula_units_Z [2]
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  0.1912  0.0000  0.8801  1
  Er  Er1  2  0.0000  0.5000  0.0000  1
  Pu  Pu2  4  0.1738  0.5000  0.3180  1
  Pu  Pu3  2  0.0000  0.0000  0.5000  1
  Se  Se4  4  0.0000  0.0000  0.7684  1
  Se  Se5  4  0.1617  0.5000  0.5711  1
  Se  Se6  4  0.1732  0.0000  0.1001  1
]