# generated using pymatgen
data_Ti5NbS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48054181
_cell_length_b   9.44654737
_cell_length_c   3.42352136
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.25434004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5NbS8
_chemical_formula_sum   'Ti5 Nb1 S8'
_cell_volume   267.50033479
_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  0.51369204  0.87494394  0.75000000  1.0
  Ti  Ti1  1  0.64737236  0.51216074  0.25000000  1.0
  Ti  Ti2  1  0.86618352  0.35039513  0.25000000  1.0
  Ti  Ti3  1  0.13285992  0.64620673  0.75000000  1.0
  Ti  Ti4  1  0.35183611  0.48952751  0.75000000  1.0
  Nb  Nb5  1  0.48756349  0.12877035  0.25000000  1.0
  S  S6  1  0.63873065  0.68915471  0.75000000  1.0
  S  S7  1  0.95013307  0.64073229  0.25000000  1.0
  S  S8  1  0.69895188  0.04409067  0.25000000  1.0
  S  S9  1  0.29909230  0.94718148  0.75000000  1.0
  S  S10  1  0.05004960  0.35727769  0.75000000  1.0
  S  S11  1  0.35748992  0.31248484  0.25000000  1.0
  S  S12  1  0.33378192  0.67031020  0.25000000  1.0
  S  S13  1  0.67226220  0.33676372  0.75000000  1.0