data_[Li2Pu2Ag4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [9.1474]
_cell_length_b [9.1474]
_cell_length_c [9.3234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [LiPu(AgBr4)2]
_chemical_formula_sum '[Li2 Pu2 Ag4 Br16]'
_cell_volume [780.1441]
_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  0.0000  0.0000  0.0000  1
  Pu  Pu1  2  0.0000  0.5000  0.7500  1
  Ag  Ag2  2  0.0000  0.0000  0.5000  1
  Ag  Ag3  2  0.0000  0.5000  0.2500  1
  Br  Br4  8  0.0000  0.1956  0.7065  1
  Br  Br5  8  0.0000  0.3147  0.0300  1
]