data_[Li8Pd4N16O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [11.1819]
_cell_length_b [10.5306]
_cell_length_c [8.6671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [Li2Pd(N2O5)2]
_chemical_formula_sum '[Li8 Pd4 N16 O40]'
_cell_volume [1020.5666]
_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  0.0792  0.8746  0.3268  1
  Li  Li1  4  0.1255  0.1253  0.1426  1
  Pd  Pd2  4  0.0022  0.6699  0.0027  1
  N  N3  4  0.0003  0.4735  0.0033  1
  N  N4  4  0.0018  0.8692  0.9954  1
  N  N5  4  0.1544  0.3370  0.3715  1
  N  N6  4  0.1590  0.6637  0.1360  1
  O  O7  4  0.0227  0.0760  0.3723  1
  O  O8  4  0.0260  0.9327  0.1130  1
  O  O9  4  0.0692  0.4212  0.9120  1
  O  O10  4  0.0694  0.5793  0.5923  1
  O  O11  4  0.0737  0.1570  0.9317  1
  O  O12  4  0.1581  0.2905  0.2394  1
  O  O13  4  0.1627  0.7129  0.2670  1
  O  O14  4  0.2182  0.9933  0.2592  1
  O  O15  4  0.2408  0.3917  0.4296  1
  O  O16  4  0.2445  0.6063  0.0796  1
]