# generated using pymatgen
data_Li4TiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02714000
_cell_length_b   11.02714000
_cell_length_c   11.02714000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiS4
_chemical_formula_sum   'Li32 Ti8 S32'
_cell_volume   1340.87614712
_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
  Li  Li0  1  0.08157700  0.15041400  0.65952500  1
  Li  Li1  1  0.08157700  0.84958600  0.34047500  1
  Li  Li2  1  0.15041400  0.34047500  0.91842300  1
  Li  Li3  1  0.15041400  0.65952500  0.08157700  1
  Li  Li4  1  0.15952500  0.34958600  0.41842300  1
  Li  Li5  1  0.16199500  0.83800500  0.83800500  1
  Li  Li6  1  0.16199500  0.16199500  0.16199500  1
  Li  Li7  1  0.15952500  0.65041400  0.58157700  1
  Li  Li8  1  0.34047500  0.08157700  0.84958600  1
  Li  Li9  1  0.33800500  0.33800500  0.66199500  1
  Li  Li10  1  0.33800500  0.66199500  0.33800500  1
  Li  Li11  1  0.34047500  0.91842300  0.15041400  1
  Li  Li12  1  0.34958600  0.41842300  0.15952500  1
  Li  Li13  1  0.34958600  0.58157700  0.84047500  1
  Li  Li14  1  0.41842300  0.15952500  0.34958600  1
  Li  Li15  1  0.41842300  0.84047500  0.65041400  1
  Li  Li16  1  0.58157700  0.15952500  0.65041400  1
  Li  Li17  1  0.58157700  0.84047500  0.34958600  1
  Li  Li18  1  0.65041400  0.41842300  0.84047500  1
  Li  Li19  1  0.65041400  0.58157700  0.15952500  1
  Li  Li20  1  0.65952500  0.08157700  0.15041400  1
  Li  Li21  1  0.66199500  0.33800500  0.33800500  1
  Li  Li22  1  0.66199500  0.66199500  0.66199500  1
  Li  Li23  1  0.65952500  0.91842300  0.84958600  1
  Li  Li24  1  0.83800500  0.16199500  0.83800500  1
  Li  Li25  1  0.84047500  0.34958600  0.58157700  1
  Li  Li26  1  0.84047500  0.65041400  0.41842300  1
  Li  Li27  1  0.83800500  0.83800500  0.16199500  1
  Li  Li28  1  0.84958600  0.34047500  0.08157700  1
  Li  Li29  1  0.84958600  0.65952500  0.91842300  1
  Li  Li30  1  0.91842300  0.15041400  0.34047500  1
  Li  Li31  1  0.91842300  0.84958600  0.65952500  1
  Ti  Ti32  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti33  1  0.00000000  0.50000000  0.25000000  1
  Ti  Ti34  1  0.00000000  0.50000000  0.75000000  1
  Ti  Ti35  1  0.25000000  0.00000000  0.50000000  1
  Ti  Ti36  1  0.50000000  0.50000000  0.50000000  1
  Ti  Ti37  1  0.50000000  0.25000000  0.00000000  1
  Ti  Ti38  1  0.50000000  0.75000000  0.00000000  1
  Ti  Ti39  1  0.75000000  0.00000000  0.50000000  1
  S  S40  1  0.11552600  0.37681000  0.63545600  1
  S  S41  1  0.11552600  0.62319000  0.36454400  1
  S  S42  1  0.11801300  0.11801300  0.88198700  1
  S  S43  1  0.11801300  0.88198700  0.11801300  1
  S  S44  1  0.12319000  0.38447400  0.13545600  1
  S  S45  1  0.12319000  0.61552600  0.86454400  1
  S  S46  1  0.13545600  0.12319000  0.38447400  1
  S  S47  1  0.13545600  0.87681000  0.61552600  1
  S  S48  1  0.36454400  0.11552600  0.62319000  1
  S  S49  1  0.36454400  0.88447400  0.37681000  1
  S  S50  1  0.37681000  0.36454400  0.88447400  1
  S  S51  1  0.37681000  0.63545600  0.11552600  1
  S  S52  1  0.38198700  0.38198700  0.38198700  1
  S  S53  1  0.38198700  0.61801300  0.61801300  1
  S  S54  1  0.38447400  0.13545600  0.12319000  1
  S  S55  1  0.38447400  0.86454400  0.87681000  1
  S  S56  1  0.61552600  0.13545600  0.87681000  1
  S  S57  1  0.61552600  0.86454400  0.12319000  1
  S  S58  1  0.61801300  0.38198700  0.61801300  1
  S  S59  1  0.61801300  0.61801300  0.38198700  1
  S  S60  1  0.62319000  0.36454400  0.11552600  1
  S  S61  1  0.62319000  0.63545600  0.88447400  1
  S  S62  1  0.63545600  0.11552600  0.37681000  1
  S  S63  1  0.63545600  0.88447400  0.62319000  1
  S  S64  1  0.86454400  0.12319000  0.61552600  1
  S  S65  1  0.86454400  0.87681000  0.38447400  1
  S  S66  1  0.87681000  0.38447400  0.86454400  1
  S  S67  1  0.87681000  0.61552600  0.13545600  1
  S  S68  1  0.88198700  0.11801300  0.11801300  1
  S  S69  1  0.88198700  0.88198700  0.88198700  1
  S  S70  1  0.88447400  0.37681000  0.36454400  1
  S  S71  1  0.88447400  0.62319000  0.63545600  1
