# generated using pymatgen
data_NbS2NO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27957500
_cell_length_b   9.10872600
_cell_length_c   17.77205200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbS2NO9
_chemical_formula_sum   'Nb4 S8 N4 O36'
_cell_volume   854.66157190
_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  0.25000000  0.08349600  0.30427500  1.0
  Nb  Nb1  1  0.25000000  0.41650400  0.80427500  1.0
  Nb  Nb2  1  0.75000000  0.91650400  0.69572500  1.0
  Nb  Nb3  1  0.75000000  0.58349600  0.19572500  1.0
  S  S4  1  0.25000000  0.48342000  0.30654100  1.0
  S  S5  1  0.25000000  0.01658000  0.80654100  1.0
  S  S6  1  0.75000000  0.51658000  0.69345900  1.0
  S  S7  1  0.75000000  0.98342000  0.19345900  1.0
  S  S8  1  0.75000000  0.13125600  0.42924700  1.0
  S  S9  1  0.75000000  0.36874400  0.92924700  1.0
  S  S10  1  0.25000000  0.86874400  0.57075300  1.0
  S  S11  1  0.25000000  0.63125600  0.07075300  1.0
  N  N12  1  0.25000000  0.14047000  0.04714000  1.0
  N  N13  1  0.25000000  0.35953000  0.54714000  1.0
  N  N14  1  0.75000000  0.85953000  0.95286000  1.0
  N  N15  1  0.75000000  0.64047000  0.45286000  1.0
  O  O16  1  0.97578700  0.07002700  0.22450000  1.0
  O  O17  1  0.52421300  0.42997300  0.72450000  1.0
  O  O18  1  0.47578700  0.92997300  0.77550000  1.0
  O  O19  1  0.02421300  0.57002700  0.27550000  1.0
  O  O20  1  0.02421300  0.92997300  0.77550000  1.0
  O  O21  1  0.47578700  0.57002700  0.27550000  1.0
  O  O22  1  0.52421300  0.07002700  0.22450000  1.0
  O  O23  1  0.97578700  0.42997300  0.72450000  1.0
  O  O24  1  0.97547200  0.16060400  0.37954600  1.0
  O  O25  1  0.52452800  0.33939600  0.87954600  1.0
  O  O26  1  0.47547200  0.83939600  0.62045400  1.0
  O  O27  1  0.02452800  0.66060400  0.12045400  1.0
  O  O28  1  0.02452800  0.83939600  0.62045400  1.0
  O  O29  1  0.47547200  0.66060400  0.12045400  1.0
  O  O30  1  0.52452800  0.16060400  0.37954600  1.0
  O  O31  1  0.97547200  0.33939600  0.87954600  1.0
  O  O32  1  0.25000000  0.33672900  0.27182900  1.0
  O  O33  1  0.25000000  0.16327100  0.77182900  1.0
  O  O34  1  0.75000000  0.66327100  0.72817100  1.0
  O  O35  1  0.75000000  0.83672900  0.22817100  1.0
  O  O36  1  0.25000000  0.48074500  0.04194100  1.0
  O  O37  1  0.25000000  0.01925500  0.54194100  1.0
  O  O38  1  0.75000000  0.51925500  0.95805900  1.0
  O  O39  1  0.75000000  0.98074500  0.45805900  1.0
  O  O40  1  0.75000000  0.23494800  0.49226200  1.0
  O  O41  1  0.75000000  0.26505200  0.99226200  1.0
  O  O42  1  0.25000000  0.76505200  0.50773800  1.0
  O  O43  1  0.25000000  0.73494800  0.00773800  1.0
  O  O44  1  0.25000000  0.48780400  0.38707700  1.0
  O  O45  1  0.25000000  0.01219600  0.88707700  1.0
  O  O46  1  0.75000000  0.51219600  0.61292300  1.0
  O  O47  1  0.75000000  0.98780400  0.11292300  1.0
  O  O48  1  0.75000000  0.40374300  0.16562200  1.0
  O  O49  1  0.75000000  0.09625700  0.66562200  1.0
  O  O50  1  0.25000000  0.59625700  0.83437800  1.0
  O  O51  1  0.25000000  0.90374300  0.33437800  1.0