# generated using pymatgen
data_Ti(NbS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81280398
_cell_length_b   5.81266000
_cell_length_c   12.53619922
_cell_angle_alpha   89.99977780
_cell_angle_beta   89.99973723
_cell_angle_gamma   119.98633039
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(NbS2)3
_chemical_formula_sum   'Ti2 Nb6 S12'
_cell_volume   366.87398727
_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
  Ti  Ti0  1  0.33308598  0.66693606  0.25001032  1.0
  Ti  Ti1  1  0.66699213  0.33314583  0.74998994  1.0
  Nb  Nb2  1  0.00030836  0.00032781  0.49995737  1.0
  Nb  Nb3  1  0.00006948  0.00008597  0.00004952  1.0
  Nb  Nb4  1  0.33266969  0.66664103  0.99789953  1.0
  Nb  Nb5  1  0.66672299  0.33272399  0.00217228  1.0
  Nb  Nb6  1  0.66711729  0.33317556  0.49785540  1.0
  Nb  Nb7  1  0.33312691  0.66706188  0.50206773  1.0
  S  S8  1  0.33179319  0.33421569  0.37402878  1.0
  S  S9  1  0.66667572  0.99813635  0.37362758  1.0
  S  S10  1  0.00226870  0.66827767  0.37407845  1.0
  S  S11  1  0.33415273  0.33177905  0.62593557  1.0
  S  S12  1  0.99812414  0.66663035  0.62629949  1.0
  S  S13  1  0.66826366  0.00231108  0.62584159  1.0
  S  S14  1  0.66830368  0.66561264  0.87416113  1.0
  S  S15  1  0.33341155  0.00188339  0.87368546  1.0
  S  S16  1  0.99775802  0.33166686  0.87403928  1.0
  S  S17  1  0.66565072  0.66829203  0.12592072  1.0
  S  S18  1  0.00182778  0.33339322  0.12638634  1.0
  S  S19  1  0.33167728  0.99770156  0.12599352  1.0