# generated using pymatgen
data_Ba6Nb5S17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85385470
_cell_length_b   9.06356105
_cell_length_c   9.05340787
_cell_angle_alpha   83.14436434
_cell_angle_beta   84.92525087
_cell_angle_gamma   82.51693070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Nb5S17
_chemical_formula_sum   'Ba6 Nb5 S17'
_cell_volume   713.21089777
_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
  Ba  Ba0  1  0.24492408  0.90315337  0.59033973  1.0
  Ba  Ba1  1  0.08734361  0.41196832  0.74381450  1.0
  Ba  Ba2  1  0.57877255  0.25871067  0.89382174  1.0
  Ba  Ba3  1  0.41615377  0.72078337  0.08846306  1.0
  Ba  Ba4  1  0.91256440  0.59151377  0.26248620  1.0
  Ba  Ba5  1  0.76425844  0.09071762  0.41971708  1.0
  Nb  Nb6  1  0.00808824  0.99343026  0.00253651  1.0
  Nb  Nb7  1  0.13611329  0.20381722  0.16633719  1.0
  Nb  Nb8  1  0.66448805  0.68094024  0.65001501  1.0
  Nb  Nb9  1  0.47578280  0.46580204  0.48657576  1.0
  Nb  Nb10  1  0.82561287  0.83251587  0.84172310  1.0
  S  S11  1  0.07716391  0.25065010  0.41148734  1.0
  S  S12  1  0.10689543  0.93027921  0.25553138  1.0
  S  S13  1  0.24613288  0.58553736  0.41039588  1.0
  S  S14  1  0.08451750  0.73851249  0.93871677  1.0
  S  S15  1  0.41539399  0.58156837  0.73582276  1.0
  S  S16  1  0.26540991  0.40349123  0.07013805  1.0
  S  S17  1  0.41697275  0.23279441  0.57855257  1.0
  S  S18  1  0.26497617  0.07373443  0.94224660  1.0
  S  S19  1  0.56953307  0.91772206  0.76014996  1.0
  S  S20  1  0.74194500  0.93222978  0.08789283  1.0
  S  S21  1  0.57552801  0.78026526  0.41196581  1.0
  S  S22  1  0.75112031  0.58439996  0.91926761  1.0
  S  S23  1  0.60657015  0.42036733  0.25752477  1.0
  S  S24  1  0.90167582  0.25565245  0.06576545  1.0
  S  S25  1  0.75014597  0.42514038  0.58788710  1.0
  S  S26  1  0.92586534  0.07865523  0.74667246  1.0
  S  S27  1  0.92611570  0.74891319  0.59082179  1.0