# generated using pymatgen
data_Ti(NbS2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83127774
_cell_length_b   7.16265444
_cell_length_c   7.93778023
_cell_angle_alpha   107.99071356
_cell_angle_beta   97.21035388
_cell_angle_gamma   105.56010481
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(NbS2)5
_chemical_formula_sum   'Ti1 Nb5 S10'
_cell_volume   295.81431751
_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  0.66982627  0.51565403  0.98737915  1.0
  Nb  Nb1  1  0.00357183  0.99895835  0.00170394  1.0
  Nb  Nb2  1  0.59934884  0.20080729  0.20299754  1.0
  Nb  Nb3  1  0.19977574  0.40023596  0.39904195  1.0
  Nb  Nb4  1  0.79604283  0.59830973  0.60179136  1.0
  Nb  Nb5  1  0.39986292  0.79546668  0.80030483  1.0
  S  S6  1  0.23276529  0.04718778  0.30361988  1.0
  S  S7  1  0.03902557  0.64065129  0.90617226  1.0
  S  S8  1  0.83372456  0.24617920  0.50189405  1.0
  S  S9  1  0.63342415  0.84811098  0.11110700  1.0
  S  S10  1  0.42348103  0.43124533  0.69782564  1.0
  S  S11  1  0.89896303  0.55771540  0.29579748  1.0
  S  S12  1  0.70038848  0.15483498  0.89673633  1.0
  S  S13  1  0.49991093  0.75477279  0.50050132  1.0
  S  S14  1  0.30373244  0.35728339  0.09524779  1.0
  S  S15  1  0.09895709  0.95018483  0.69947948  1.0