# generated using pymatgen
data_Li5(NbS2)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.18035624
_cell_length_b   12.18035624
_cell_length_c   16.43234633
_cell_angle_alpha   53.20986595
_cell_angle_beta   53.20986595
_cell_angle_gamma   27.78748686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5(NbS2)7
_chemical_formula_sum   'Li10 Nb14 S28'
_cell_volume   894.47454994
_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
  Li  Li0  1  0.57228800  0.07223800  0.99997100  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Li  Li2  1  0.78585500  0.28549200  0.50001600  1
  Li  Li3  1  0.71450800  0.21414500  0.99998400  1
  Li  Li4  1  0.42771200  0.92776200  0.00002900  1
  Li  Li5  1  0.21414500  0.71450800  0.49998400  1
  Li  Li6  1  0.28549200  0.78585500  0.00001600  1
  Li  Li7  1  0.07223800  0.57228800  0.49997100  1
  Li  Li8  1  0.92776200  0.42771200  0.50002900  1
  Li  Li9  1  0.50000000  0.00000000  0.50000000  1
  Nb  Nb10  1  0.89083500  0.39487300  0.25005400  1
  Nb  Nb11  1  0.67800100  0.17967600  0.74986300  1
  Nb  Nb12  1  0.74988200  0.25011800  0.25000000  1
  Nb  Nb13  1  0.32199900  0.82032400  0.25013700  1
  Nb  Nb14  1  0.10916500  0.60512700  0.74994600  1
  Nb  Nb15  1  0.60512700  0.10916500  0.24994600  1
  Nb  Nb16  1  0.96348800  0.46496100  0.75073000  1
  Nb  Nb17  1  0.17967600  0.67800100  0.24986300  1
  Nb  Nb18  1  0.82032400  0.32199900  0.75013700  1
  Nb  Nb19  1  0.53503900  0.03651200  0.74927000  1
  Nb  Nb20  1  0.03651200  0.53503900  0.24927000  1
  Nb  Nb21  1  0.39487300  0.89083500  0.75005400  1
  Nb  Nb22  1  0.25011800  0.74988200  0.75000000  1
  Nb  Nb23  1  0.46496100  0.96348800  0.25073000  1
  S  S24  1  0.27851600  0.11146100  0.12854800  1
  S  S25  1  0.70701700  0.53916700  0.12878300  1
  S  S26  1  0.60339200  0.43497200  0.37117800  1
  S  S27  1  0.39660800  0.56502800  0.62882200  1
  S  S28  1  0.29298300  0.46083300  0.87121700  1
  S  S29  1  0.56502800  0.39660800  0.12882200  1
  S  S30  1  0.15003000  0.31693100  0.87129300  1
  S  S31  1  0.17519600  0.00738200  0.37085700  1
  S  S32  1  0.25514700  0.42011500  0.62884000  1
  S  S33  1  0.46083300  0.29298300  0.37121700  1
  S  S34  1  0.42011500  0.25514700  0.12884000  1
  S  S35  1  0.13408700  0.96967000  0.12892300  1
  S  S36  1  0.31693100  0.15003000  0.37129300  1
  S  S37  1  0.72148400  0.88853900  0.87145200  1
  S  S38  1  0.11146100  0.27851600  0.62854800  1
  S  S39  1  0.00738200  0.17519600  0.87085700  1
  S  S40  1  0.82480400  0.99261800  0.62914300  1
  S  S41  1  0.03033000  0.86591300  0.37107700  1
  S  S42  1  0.99261800  0.82480400  0.12914300  1
  S  S43  1  0.88853900  0.72148400  0.37145200  1
  S  S44  1  0.57988500  0.74485300  0.87116000  1
  S  S45  1  0.68306900  0.84997000  0.62870700  1
  S  S46  1  0.96967000  0.13408700  0.62892300  1
  S  S47  1  0.84997000  0.68306900  0.12870700  1
  S  S48  1  0.74485300  0.57988500  0.37116000  1
  S  S49  1  0.53916700  0.70701700  0.62878300  1
  S  S50  1  0.43497200  0.60339200  0.87117800  1
  S  S51  1  0.86591300  0.03033000  0.87107700  1
