data_[Li18Cr8C16S4O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  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 [C2]
_cell_length_a [13.0793]
_cell_length_b [13.7893]
_cell_length_c [9.2805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li9Cr4C8(SO16)2]
_chemical_formula_sum '[Li18 Cr8 C16 S4 O64]'
_cell_volume [1191.5832]
_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  0.1937  0.3794  0.4076  1
  Li  Li1  4  0.1979  0.3785  0.9887  1
  Li  Li2  4  0.2107  0.6225  0.9187  1
  Li  Li3  4  0.2116  0.6216  0.5050  1
  Li  Li4  2  0.0000  0.8366  0.5000  1
  Cr  Cr5  4  0.0005  0.9993  0.7525  1
  Cr  Cr6  4  0.2493  0.2488  0.7488  1
  C  C7  4  0.0019  0.7842  0.8081  1
  C  C8  4  0.0030  0.2131  0.3111  1
  C  C9  4  0.1952  0.0337  0.6938  1
  C  C10  4  0.1971  0.9642  0.1938  1
  S  S11  2  0.0000  0.3753  0.0000  1
  S  S12  2  0.0000  0.6321  0.5000  1
  O  O13  4  0.0015  0.4344  0.1371  1
  O  O14  4  0.0024  0.5732  0.6366  1
  O  O15  4  0.0556  0.8531  0.7820  1
  O  O16  4  0.0590  0.1417  0.2990  1
  O  O17  4  0.0824  0.7228  0.9532  1
  O  O18  4  0.0828  0.2784  0.4512  1
  O  O19  4  0.1316  0.6952  0.6281  1
  O  O20  4  0.1329  0.9680  0.5527  1
  O  O21  4  0.1350  0.3169  0.1326  1
  O  O22  4  0.1365  0.2222  0.8207  1
  O  O23  4  0.1370  0.7762  0.3212  1
  O  O24  4  0.1395  0.0298  0.0561  1
  O  O25  4  0.1981  0.0225  0.8348  1
  O  O26  4  0.1999  0.9757  0.3352  1
  O  O27  4  0.2472  0.6084  0.3099  1
  O  O28  4  0.2483  0.3876  0.8121  1
]