# generated using pymatgen
data_Li4TiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22643400
_cell_length_b   7.23531800
_cell_length_c   13.04466746
_cell_angle_alpha   77.17911978
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiS4
_chemical_formula_sum   'Li16 Ti4 S16'
_cell_volume   665.04315203
_cell_formula_units_Z   4
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  0.48157200  0.00112100  0.63614600  1
  Li  Li1  1  0.92032000  0.82349900  0.61136700  1
  Li  Li2  1  0.01842800  0.00112100  0.13614600  1
  Li  Li3  1  0.22528600  0.60158300  0.85857800  1
  Li  Li4  1  0.31642900  0.58086500  0.61189700  1
  Li  Li5  1  0.57968000  0.82349900  0.11136700  1
  Li  Li6  1  0.81642900  0.41913500  0.88810300  1
  Li  Li7  1  0.27471400  0.60158300  0.35857800  1
  Li  Li8  1  0.72528600  0.39841700  0.64142200  1
  Li  Li9  1  0.18357100  0.58086500  0.11189700  1
  Li  Li10  1  0.42032000  0.17650100  0.88863300  1
  Li  Li11  1  0.68357100  0.41913500  0.38810300  1
  Li  Li12  1  0.77471400  0.39841700  0.14142200  1
  Li  Li13  1  0.98157200  0.99887900  0.86385400  1
  Li  Li14  1  0.07968000  0.17650100  0.38863300  1
  Li  Li15  1  0.51842800  0.99887900  0.36385400  1
  Ti  Ti16  1  0.59981700  0.78879500  0.87625900  1
  Ti  Ti17  1  0.90018300  0.78879500  0.37625900  1
  Ti  Ti18  1  0.09981700  0.21120500  0.62374100  1
  Ti  Ti19  1  0.40018300  0.21120500  0.12374100  1
  S  S20  1  0.16660800  0.92199600  0.72267600  1
  S  S21  1  0.34438100  0.81537500  0.97127300  1
  S  S22  1  0.84656700  0.70104600  0.98546000  1
  S  S23  1  0.33339200  0.92199600  0.22267600  1
  S  S24  1  0.15561900  0.81537500  0.47127300  1
  S  S25  1  0.54747700  0.57601800  0.77291400  1
  S  S26  1  0.65343300  0.70104600  0.48546000  1
  S  S27  1  0.95252300  0.57601800  0.27291400  1
  S  S28  1  0.04747700  0.42398200  0.72708600  1
  S  S29  1  0.34656700  0.29895400  0.51454000  1
  S  S30  1  0.45252300  0.42398200  0.22708600  1
  S  S31  1  0.84438100  0.18462500  0.52872700  1
  S  S32  1  0.66660800  0.07800400  0.77732400  1
  S  S33  1  0.15343300  0.29895400  0.01454000  1
  S  S34  1  0.65561900  0.18462500  0.02872700  1
  S  S35  1  0.83339200  0.07800400  0.27732400  1
