# generated using pymatgen
data_Na(TiS2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84871968
_cell_length_b   6.84871950
_cell_length_c   12.89123188
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999120
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na(TiS2)8
_chemical_formula_sum   'Na1 Ti8 S16'
_cell_volume   523.65331957
_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
  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50086457  0.49913543  0.72783056  1.0
  Ti  Ti2  1  0.49913543  0.50086457  0.27216944  1.0
  Ti  Ti3  1  0.50086457  0.00172814  0.72783056  1.0
  Ti  Ti4  1  0.49913543  0.99827186  0.27216944  1.0
  Ti  Ti5  1  0.99827186  0.49913543  0.72783056  1.0
  Ti  Ti6  1  0.00172814  0.50086457  0.27216944  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.72390911  1.0
  Ti  Ti8  1  0.00000000  0.00000000  0.27609089  1.0
  S  S9  1  0.83353595  0.66707191  0.16213351  1.0
  S  S10  1  0.83281516  0.66563132  0.61854370  1.0
  S  S11  1  0.83353595  0.16646405  0.16213351  1.0
  S  S12  1  0.83281516  0.16718484  0.61854370  1.0
  S  S13  1  0.33333300  0.66666700  0.16155978  1.0
  S  S14  1  0.33333300  0.66666700  0.62074001  1.0
  S  S15  1  0.33292809  0.16646405  0.16213351  1.0
  S  S16  1  0.33436868  0.16718484  0.61854370  1.0
  S  S17  1  0.66707191  0.83353595  0.83786649  1.0
  S  S18  1  0.66563132  0.83281516  0.38145630  1.0
  S  S19  1  0.66666700  0.33333300  0.83844022  1.0
  S  S20  1  0.66666700  0.33333300  0.37925999  1.0
  S  S21  1  0.16646405  0.83353595  0.83786649  1.0
  S  S22  1  0.16718484  0.83281516  0.38145630  1.0
  S  S23  1  0.16646405  0.33292809  0.83786649  1.0
  S  S24  1  0.16718484  0.33436868  0.38145630  1.0