# generated using pymatgen
data_Li4Ti5S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49327300
_cell_length_b   11.66061611
_cell_length_c   12.01612406
_cell_angle_alpha   72.86033161
_cell_angle_beta   76.55552563
_cell_angle_gamma   78.38063955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti5S12
_chemical_formula_sum   'Li8 Ti10 S24'
_cell_volume   836.88863270
_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  1  0.14659300  0.40715100  0.40421600  1
  Li  Li1  1  0.35599500  0.58065900  0.11071400  1
  Li  Li2  1  0.27445000  0.91211400  0.02172600  1
  Li  Li3  1  0.30961500  0.76691300  0.55631600  1
  Li  Li4  1  0.69038500  0.23308700  0.44368400  1
  Li  Li5  1  0.72555000  0.08788600  0.97827400  1
  Li  Li6  1  0.64400500  0.41934100  0.88928600  1
  Li  Li7  1  0.85340700  0.59284900  0.59578400  1
  Ti  Ti8  1  0.26126100  0.09157900  0.27628800  1
  Ti  Ti9  1  0.19178100  0.09226900  0.67766000  1
  Ti  Ti10  1  0.18933700  0.27541800  0.92257100  1
  Ti  Ti11  1  0.12426400  0.59236900  0.86018300  1
  Ti  Ti12  1  0.42059500  0.42597600  0.64679900  1
  Ti  Ti13  1  0.57940500  0.57402400  0.35320100  1
  Ti  Ti14  1  0.87573600  0.40763100  0.13981700  1
  Ti  Ti15  1  0.81066300  0.72458200  0.07742900  1
  Ti  Ti16  1  0.80821900  0.90773100  0.32234000  1
  Ti  Ti17  1  0.73873900  0.90842100  0.72371200  1
  S  S18  1  0.05008500  0.26545700  0.30243800  1
  S  S19  1  0.24502900  0.42018500  0.01717200  1
  S  S20  1  0.34147000  0.10220300  0.08268900  1
  S  S21  1  0.10252200  0.10337800  0.86693400  1
  S  S22  1  0.04638200  0.42970300  0.77227600  1
  S  S23  1  0.11053300  0.91835400  0.38440400  1
  S  S24  1  0.32008400  0.26364200  0.56930700  1
  S  S25  1  0.25278400  0.57070200  0.48401400  1
  S  S26  1  0.56883900  0.08036900  0.34296900  1
  S  S27  1  0.17164900  0.73115800  0.94697000  1
  S  S28  1  0.54049300  0.41764800  0.27049700  1
  S  S29  1  0.46557700  0.73126300  0.19259600  1
  S  S30  1  0.53442300  0.26873700  0.80740400  1
  S  S31  1  0.45950700  0.58235200  0.72950300  1
  S  S32  1  0.82835100  0.26884200  0.05303000  1
  S  S33  1  0.43116100  0.91963100  0.65703100  1
  S  S34  1  0.74721600  0.42929800  0.51598600  1
  S  S35  1  0.67991600  0.73635800  0.43069300  1
  S  S36  1  0.88946700  0.08164600  0.61559600  1
  S  S37  1  0.95361800  0.57029700  0.22772400  1
  S  S38  1  0.89747800  0.89662200  0.13306600  1
  S  S39  1  0.65853000  0.89779700  0.91731100  1
  S  S40  1  0.75497100  0.57981500  0.98282800  1
  S  S41  1  0.94991500  0.73454300  0.69756200  1
