# generated using pymatgen
data_Nb6SeS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.76648330
_cell_length_b   9.87402862
_cell_length_c   3.38181632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.73486163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6SeS7
_chemical_formula_sum   'Nb6 Se1 S7'
_cell_volume   280.31700523
_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
  Nb  Nb0  1  0.50990193  0.89164736  0.75000000  1.0
  Nb  Nb1  1  0.62660362  0.51037204  0.25000000  1.0
  Nb  Nb2  1  0.88883255  0.37261092  0.25000000  1.0
  Nb  Nb3  1  0.11174492  0.62314349  0.75000000  1.0
  Nb  Nb4  1  0.37584816  0.48602279  0.75000000  1.0
  Nb  Nb5  1  0.48045557  0.10920564  0.25000000  1.0
  Se  Se6  1  0.67118657  0.72683816  0.75000000  1.0
  S  S7  1  0.94119712  0.64724236  0.25000000  1.0
  S  S8  1  0.70738130  0.06127910  0.25000000  1.0
  S  S9  1  0.28232899  0.93807928  0.75000000  1.0
  S  S10  1  0.05953480  0.34792554  0.75000000  1.0
  S  S11  1  0.34565565  0.28841688  0.25000000  1.0
  S  S12  1  0.33479013  0.66672255  0.25000000  1.0
  S  S13  1  0.66453769  0.33049289  0.75000000  1.0