# generated using pymatgen
data_Nb3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92714901
_cell_length_b   8.92860672
_cell_length_c   9.26587097
_cell_angle_alpha   93.95653650
_cell_angle_beta   94.76423052
_cell_angle_gamma   113.50977929
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3S5
_chemical_formula_sum   'Nb12 S20'
_cell_volume   595.55236501
_cell_formula_units_Z   4
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
  Nb  Nb0  1  0.00686593  0.00510568  0.00005627  1.0
  Nb  Nb1  1  0.60485741  0.40306542  0.59731251  1.0
  Nb  Nb2  1  0.50344042  -0.00013099  0.50357220  1.0
  Nb  Nb3  1  0.20473372  0.80064660  0.19811274  1.0
  Nb  Nb4  1  0.09805658  0.40169214  0.09943987  1.0
  Nb  Nb5  1  0.79976212  0.20008294  0.80038899  1.0
  Nb  Nb6  1  0.70428330  0.79963481  0.69671336  1.0
  Nb  Nb7  1  0.40955479  0.60483930  0.39889862  1.0
  Nb  Nb8  1  0.29998980  0.19936680  0.29189468  1.0
  Nb  Nb9  1  0.89600693  0.59289469  0.89991117  1.0
  Nb  Nb10  1  0.86355554  0.69585937  0.39701851  1.0
  Nb  Nb11  1  0.45619895  0.09034353  0.99417964  1.0
  S  S12  1  0.07345852  0.55081178  0.33033741  1.0
  S  S13  1  0.39661703  0.65102097  0.13702913  1.0
  S  S14  1  0.67012473  0.94748072  0.92688492  1.0
  S  S15  1  0.56909092  0.54850668  0.82326482  1.0
  S  S16  1  -0.00290879  0.05341307  0.73880586  1.0
  S  S17  1  0.90973291  0.64927772  0.64561316  1.0
  S  S18  1  0.27723367  0.35323128  0.52273918  1.0
  S  S19  1  0.16885395  0.95003533  0.42757145  1.0
  S  S20  1  0.59636411  0.44346877  0.32849260  1.0
  S  S21  1  0.50589423  0.05076997  0.24545517  1.0
  S  S22  1  0.86983715  0.75031100  0.12986107  1.0
  S  S23  1  0.76379649  0.34554093  0.03104869  1.0
  S  S24  1  0.18961231  0.83831864  0.93195923  1.0
  S  S25  1  0.09418478  0.44872695  0.83978469  1.0
  S  S26  1  0.46705214  0.14934017  0.72868055  1.0
  S  S27  1  0.37414883  0.74675622  0.62789757  1.0
  S  S28  1  0.79829636  0.25189667  0.54136459  1.0
  S  S29  1  0.70292280  0.86687173  0.43714996  1.0
  S  S30  1  0.97141349  0.14905184  0.22756582  1.0
  S  S31  1  0.29536787  0.26337028  0.03139457  1.0