[CIF]
data_Li13(TiS2)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89415106
_cell_length_b   9.89415106
_cell_length_c   9.89874053
_cell_angle_alpha   90.00324532
_cell_angle_beta   90.00324532
_cell_angle_gamma   90.03883495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li13(TiS2)16
_chemical_formula_sum   'Li13 Ti16 S32'
_cell_volume   969.02930957
_cell_formula_units_Z   1
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  1  5.26451040  3.50630813  3.68358732  1
  Li  Li1  1  10.49773336  1.74545428  6.19449184  1
  Li  Li2  1  3.50208769  -1.72969849  6.21066509  1
  Li  Li3  1  8.72662540  -3.50882384  3.68378905  1
  Li  Li4  1  8.72483660  -0.00000000  8.66477796  1
  Li  Li5  1  6.97999217  1.76527724  1.21641494  1
  Li  Li6  1  5.26451040  -3.50630813  3.68358732  1
  Li  Li7  1  3.50208769  1.72969849  6.21066509  1
  Li  Li8  1  12.27039737  -0.00000000  8.69837716  1
  Li  Li9  1  8.72662540  3.50882384  3.68378905  1
  Li  Li10  1  6.97999217  -1.76527724  1.21641494  1
  Li  Li11  1  1.74755281  -0.00000000  8.69809692  1
  Li  Li12  1  10.49773336  -1.74545428  6.19449184  1
  Ti  Ti13  1  3.46979688  -1.72522058  1.21109496  1
  Ti  Ti14  1  8.72052464  -3.52047195  8.69673594  1
  Ti  Ti15  1  8.74674540  -0.00000000  3.69146771  1
  Ti  Ti16  1  6.99933341  5.24808066  6.20057768  1
  Ti  Ti17  1  12.28092611  -0.00000000  3.65465528  1
  Ti  Ti18  1  5.25836711  3.48487865  8.69130619  1
  Ti  Ti19  1  6.97436094  -1.73659792  6.21401779  1
  Ti  Ti20  1  10.52922519  -1.74826849  1.23183134  1
  Ti  Ti21  1  8.72052464  3.52047195  8.69673594  1
  Ti  Ti22  1  1.71989970  0.00000000  3.65573682  1
  Ti  Ti23  1  5.22925183  -0.00000000  3.69123162  1
  Ti  Ti24  1  5.25836711  -3.48487865  8.69130619  1
  Ti  Ti25  1  6.99933341  -5.24808066  6.20057768  1
  Ti  Ti26  1  10.52922519  1.74826849  1.23183134  1
  Ti  Ti27  1  3.46979688  1.72522058  1.21109496  1
  Ti  Ti28  1  6.97436094  1.73659792  6.21401779  1
  S  S29  1  5.22126822  -3.49732922  1.21939496  1
  S  S30  1  3.49558196  1.77351290  8.67962003  1
  S  S31  1  6.99280236  1.72598007  3.72770630  1
  S  S32  1  12.26221879  -0.00000000  6.16865147  1
  S  S33  1  3.49558196  -1.77351290  8.67962003  1
  S  S34  1  6.99299589  5.27372532  3.72674147  1
  S  S35  1  8.76556168  -3.49842660  1.21928617  1
  S  S36  1  8.71923750  -0.00000000  6.17071189  1
  S  S37  1  8.76556168  3.49842660  1.21928617  1
  S  S38  1  6.99280236  -1.72598007  3.72770630  1
  S  S39  1  1.72352559  0.00000000  6.16850932  1
  S  S40  1  10.48921560  -1.77344046  8.67882596  1
  S  S41  1  6.98160443  -1.75952243  8.64693498  1
  S  S42  1  1.74650736  -0.00000000  1.25577204  1
  S  S43  1  10.50358908  -1.72837660  3.70119154  1
  S  S44  1  8.72273143  3.48830376  6.20105381  1
  S  S45  1  6.98663349  -5.22363227  8.66020316  1
  S  S46  1  5.25758101  3.49165007  6.20374736  1
  S  S47  1  5.21293791  0.00000000  1.23861584  1
  S  S48  1  10.50358908  1.72837660  3.70119154  1
  S  S49  1  8.72273143  -3.48830376  6.20105381  1
  S  S50  1  8.76621343  -0.00000000  1.24120376  1
  S  S51  1  6.98663349  5.22363227  8.66020316  1
  S  S52  1  3.48358318  -1.73102802  3.69835337  1
  S  S53  1  6.98160443  1.75952243  8.64693498  1
  S  S54  1  12.23867495  -0.00000000  1.25591577  1
  S  S55  1  5.25758101  -3.49165007  6.20374736  1
  S  S56  1  5.26768317  0.00000000  6.17181283  1
  S  S57  1  6.99299589  -5.27372532  3.72674147  1
  S  S58  1  5.22126822  3.49732922  1.21939496  1
  S  S59  1  10.48921560  1.77344046  8.67882596  1
  S  S60  1  3.48358318  1.73102802  3.69835337  1
[/CIF]
