data_[Na16Li32Mn16C32S8O128]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [13.4944]
_cell_length_b [14.0031]
_cell_length_c [14.0117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Na2Li4Mn2C4SO16]
_chemical_formula_sum '[Na16 Li32 Mn16 C32 S8 O128]'
_cell_volume [2647.6985]
_cell_formula_units_Z [8]
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
[
  Na  Na0  16  0.0000  0.2201  0.0000  1
  Li  Li1  32  0.0316  0.1323  0.2013  1
  Mn  Mn2  16  0.1250  0.1250  0.6250  1
  C  C3  32  0.1014  0.0977  0.4017  1
  S  S4  8  0.0000  0.0000  0.0000  1
  O  O5  32  0.0307  0.1048  0.3396  1
  O  O6  32  0.0638  0.0625  0.0618  1
  O  O7  32  0.0798  0.2170  0.8579  1
  O  O8  32  0.1072  0.1556  0.4736  1
]