# generated using pymatgen
data_Nb11S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08369603
_cell_length_b   4.08977355
_cell_length_c   31.43287823
_cell_angle_alpha   86.26996093
_cell_angle_beta   85.69189951
_cell_angle_gamma   30.00000362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb11S12
_chemical_formula_sum   'Nb22 S24'
_cell_volume   454.03000566
_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
  Nb  Nb0  1  0.92333400  0.00000000  0.22999700  1.0
  Nb  Nb1  1  0.02551900  0.33163600  0.92480900  1.0
  Nb  Nb2  1  0.24366000  0.00000000  0.26902100  1.0
  Nb  Nb3  1  0.00022000  0.66607000  0.00058800  1.0
  Nb  Nb4  1  0.85715500  0.66836400  0.42480900  1.0
  Nb  Nb5  1  0.47415800  0.66613400  0.57581300  1.0
  Nb  Nb6  1  0.16629100  0.33393000  0.50058800  1.0
  Nb  Nb7  1  0.30973600  0.33055600  0.07581300  1.0
  Nb  Nb8  1  0.74366000  0.00000000  0.76902100  1.0
  Nb  Nb9  1  0.42333400  0.00000000  0.72999700  1.0
  Nb  Nb10  1  0.33290300  0.66731700  0.00058800  1.0
  Nb  Nb11  1  0.69251700  0.33300200  0.92480900  1.0
  Nb  Nb12  1  0.14029200  0.66944400  0.57581300  1.0
  Nb  Nb13  1  0.50022000  0.33268300  0.50058800  1.0
  Nb  Nb14  1  0.52551900  0.66699800  0.42480900  1.0
  Nb  Nb15  1  0.66629100  0.66661200  0.00058800  1.0
  Nb  Nb16  1  0.35715500  0.33536200  0.92480900  1.0
  Nb  Nb17  1  0.97415800  0.33557800  0.07581300  1.0
  Nb  Nb18  1  0.83290300  0.33338800  0.50058800  1.0
  Nb  Nb19  1  0.19251700  0.66463800  0.42480900  1.0
  Nb  Nb20  1  0.80973600  0.66442200  0.57581300  1.0
  Nb  Nb21  1  0.64029200  0.33386600  0.07581300  1.0
  S  S22  1  0.95374500  0.67722700  0.13931100  1.0
  S  S23  1  0.43076000  0.51605300  0.70092900  1.0
  S  S24  1  0.22193400  0.02088400  0.79815800  1.0
  S  S25  1  0.21173400  0.32704300  0.36072000  1.0
  S  S26  1  0.38877100  0.65000600  0.86072000  1.0
  S  S27  1  0.23708900  0.50573100  0.29815800  1.0
  S  S28  1  0.42149800  0.02531400  0.20092900  1.0
  S  S29  1  0.03877600  0.67295700  0.86072000  1.0
  S  S30  1  0.27597300  0.67777200  0.13931100  1.0
  S  S31  1  0.24281900  0.49426900  0.79815800  1.0
  S  S32  1  0.94681200  0.97468600  0.70092900  1.0
  S  S33  1  0.63097200  0.64500100  0.13931100  1.0
  S  S34  1  0.45374500  0.32222800  0.63931100  1.0
  S  S35  1  0.88877100  0.32296300  0.36072000  1.0
  S  S36  1  0.72193400  0.51515400  0.29815800  1.0
  S  S37  1  0.77597300  0.35499900  0.63931100  1.0
  S  S38  1  0.93076000  0.49073900  0.20092900  1.0
  S  S39  1  0.73708900  0.48484600  0.79815800  1.0
  S  S40  1  0.71173400  0.67703700  0.86072000  1.0
  S  S41  1  0.44681200  0.48394700  0.20092900  1.0
  S  S42  1  0.92149800  0.50926100  0.70092900  1.0
  S  S43  1  0.74281900  0.97911600  0.29815800  1.0
  S  S44  1  0.53877600  0.34999400  0.36072000  1.0
  S  S45  1  0.13097200  0.32277300  0.63931100  1.0