# generated using pymatgen
data_Ti(NbS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70046495
_cell_length_b   6.70070398
_cell_length_c   12.30227069
_cell_angle_alpha   90.00059300
_cell_angle_beta   89.99976796
_cell_angle_gamma   119.98953832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(NbS2)4
_chemical_formula_sum   'Ti2 Nb8 S16'
_cell_volume   478.39546663
_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  -0.00000008  -0.00000049  0.49999879  1.0
  Ti  Ti1  1  0.00000018  -0.00000051  0.00000141  1.0
  Nb  Nb2  1  -0.00003046  0.00006323  0.25030992  1.0
  Nb  Nb3  1  0.00002635  -0.00006712  0.74969071  1.0
  Nb  Nb4  1  0.50559094  0.49440880  0.25028829  1.0
  Nb  Nb5  1  0.50557908  0.01114893  0.25013418  1.0
  Nb  Nb6  1  0.98884658  0.49442520  0.25016008  1.0
  Nb  Nb7  1  0.49440789  0.50559029  0.74971173  1.0
  Nb  Nb8  1  0.49442268  0.98885460  0.74986736  1.0
  Nb  Nb9  1  0.01115276  0.50557632  0.74983829  1.0
  S  S10  1  0.33337029  0.66660074  0.87956686  1.0
  S  S11  1  0.66662994  0.33339948  0.12043389  1.0
  S  S12  1  0.66672868  0.33323159  0.37985193  1.0
  S  S13  1  0.33327290  0.66676968  0.62014763  1.0
  S  S14  1  0.16672978  0.83326755  0.37875828  1.0
  S  S15  1  0.16671471  0.33341323  0.37889059  1.0
  S  S16  1  0.66657930  0.83327677  0.37886553  1.0
  S  S17  1  0.83327021  0.16673107  0.62124098  1.0
  S  S18  1  0.83328472  0.66658612  0.62110849  1.0
  S  S19  1  0.33341920  0.16672141  0.62113228  1.0
  S  S20  1  0.83354820  0.16650530  0.87834607  1.0
  S  S21  1  0.83303617  0.66628536  0.87825834  1.0
  S  S22  1  0.33358305  0.16691969  0.87827394  1.0
  S  S23  1  0.16645578  0.83349919  0.12165602  1.0
  S  S24  1  0.16696381  0.33371321  0.12174291  1.0
  S  S25  1  0.66641731  0.83308035  0.12172749  1.0