# generated using pymatgen
data_Ti6SeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47500664
_cell_length_b   9.60961942
_cell_length_c   3.41996380
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.04946791
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6SeS7
_chemical_formula_sum   'Ti6 Se1 S7'
_cell_volume   269.53871411
_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
  Ti  Ti0  1  0.64878580  0.14103439  0.24999900  1.0
  Ti  Ti1  1  0.48205427  0.34985077  0.24999900  1.0
  Ti  Ti2  1  0.86552447  0.51416111  0.24999900  1.0
  Ti  Ti3  1  0.13429977  0.49016006  0.75000100  1.0
  Ti  Ti4  1  0.50862129  0.63930104  0.75000100  1.0
  Ti  Ti5  1  0.35409525  0.86642198  0.75000100  1.0
  Se  Se6  1  0.65920906  0.95393542  0.75000100  1.0
  S  S7  1  0.35739607  0.04695329  0.24999900  1.0
  S  S8  1  0.95242057  0.31527226  0.24999900  1.0
  S  S9  1  0.68611791  0.63491666  0.24999900  1.0
  S  S10  1  0.33433134  0.66777224  0.24999900  1.0
  S  S11  1  0.66480618  0.33425936  0.75000100  1.0
  S  S12  1  0.30404789  0.35521605  0.75000100  1.0
  S  S13  1  0.04829212  0.69074539  0.75000100  1.0