# generated using pymatgen
data_Nb9SO25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85936205
_cell_length_b   11.36643302
_cell_length_c   11.36643276
_cell_angle_alpha   91.65160283
_cell_angle_beta   80.22554145
_cell_angle_gamma   99.77445702
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb9SO25
_chemical_formula_sum   'Nb9 S1 O25'
_cell_volume   484.24236174
_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  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.78957164  0.67603532  0.11711636  1.0
  Nb  Nb2  1  0.12613958  0.44167624  0.20572582  1.0
  Nb  Nb3  1  0.88646369  0.11711636  0.32396468  1.0
  Nb  Nb4  1  0.66813660  0.79427318  0.44167624  1.0
  Nb  Nb5  1  0.31553966  0.20572582  0.55832376  1.0
  Nb  Nb6  1  0.09331301  0.88288364  0.67603532  1.0
  Nb  Nb7  1  0.89018616  0.55832376  0.79427418  1.0
  Nb  Nb8  1  0.23065267  0.32396468  0.88288364  1.0
  S  S9  1  0.24999900  0.50000000  0.50000000  1.0
  O  O10  1  0.50000100  0.00000000  0.00000000  1.0
  O  O11  1  0.19133402  0.39501778  0.04345377  1.0
  O  O12  1  0.88853219  0.83026713  0.06318499  1.0
  O  O13  1  0.25698137  0.63404677  0.14107009  1.0
  O  O14  1  0.94173294  0.06318499  0.16973287  1.0
  O  O15  1  0.65673835  0.49004866  0.20343957  1.0
  O  O16  1  0.00779840  0.29111700  0.26835705  1.0
  O  O17  1  0.72384555  0.73164295  0.29111600  1.0
  O  O18  1  0.37706640  0.14107009  0.36595323  1.0
  O  O19  1  0.09706894  0.51312032  0.39153360  1.0
  O  O20  1  0.76521021  0.95654523  0.39501878  1.0
  O  O21  1  0.41605239  0.39153360  0.48687968  1.0
  O  O22  1  0.13982007  0.79656043  0.49004866  1.0
  O  O23  1  0.83330930  0.20343857  0.50995034  1.0
  O  O24  1  0.51139847  0.60846540  0.51311932  1.0
  O  O25  1  0.20368276  0.04345477  0.60498122  1.0
  O  O26  1  0.97548121  0.48687968  0.60846540  1.0
  O  O27  1  0.60194854  0.85892991  0.63404677  1.0
  O  O28  1  0.28331860  0.26835705  0.70888400  1.0
  O  O29  1  0.98503745  0.70888300  0.73164295  1.0
  O  O30  1  0.37013027  0.50995034  0.79656043  1.0
  O  O31  1  0.04828382  0.93681401  0.83026613  1.0
  O  O32  1  0.76400369  0.36595223  0.85892891  1.0
  O  O33  1  0.12145005  0.16973287  0.93681401  1.0
  O  O34  1  0.83977101  0.60498122  0.95654523  1.0