data_[Li2Pr2Pu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5376]
_cell_length_b [4.0833]
_cell_length_c [8.9764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPrPuSe3]
_chemical_formula_sum '[Li2 Pr2 Pu2 Se6]'
_cell_volume [305.6780]
_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  2  0.0874  0.7500  0.5840  1
  Pr  Pr1  2  0.1829  0.7500  0.2255  1
  Pu  Pu2  2  0.3335  0.2500  0.8354  1
  Se  Se3  2  0.0944  0.7500  0.8674  1
  Se  Se4  2  0.2173  0.2500  0.4944  1
  Se  Se5  2  0.4255  0.2500  0.1703  1
]