# generated using pymatgen
data_Ba9Nb10O30
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20097934
_cell_length_b   9.20592041
_cell_length_c   9.19823689
_cell_angle_alpha   113.54420243
_cell_angle_beta   90.03051196
_cell_angle_gamma   101.51314832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba9Nb10O30
_chemical_formula_sum   'Ba9 Nb10 O30'
_cell_volume   697.09152474
_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
  Ba  Ba0  1  0.19750750  0.99952528  0.39535021  1.0
  Ba  Ba1  1  0.39534434  0.00001229  0.80218852  1.0
  Ba  Ba2  1  0.60465566  -0.00001229  0.19781148  1.0
  Ba  Ba3  1  0.09846616  0.49528469  0.19865200  1.0
  Ba  Ba4  1  0.80249250  0.00047472  0.60464979  1.0
  Ba  Ba5  1  0.29995165  0.49991985  0.60110787  1.0
  Ba  Ba6  1  0.50000000  0.50000000  -0.00000000  1.0
  Ba  Ba7  1  0.70004835  0.50008015  0.39889213  1.0
  Ba  Ba8  1  0.90153384  0.50471531  0.80134800  1.0
  Nb  Nb9  1  0.04887095  0.75286307  0.60430263  1.0
  Nb  Nb10  1  0.24713577  0.75263327  0.99962114  1.0
  Nb  Nb11  1  0.14749762  0.24706013  0.80230836  1.0
  Nb  Nb12  1  0.34560978  0.24601375  0.19676821  1.0
  Nb  Nb13  1  0.44972925  0.74977288  0.39998154  1.0
  Nb  Nb14  1  0.65439022  0.75398625  0.80323179  1.0
  Nb  Nb15  1  0.55027075  0.25022712  0.60001846  1.0
  Nb  Nb16  1  0.85250238  0.75293987  0.19769164  1.0
  Nb  Nb17  1  0.75286423  0.24736673  0.00037886  1.0
  Nb  Nb18  1  0.95112905  0.24713693  0.39569737  1.0
  O  O19  1  0.10108195  0.00001603  0.69480288  1.0
  O  O20  1  0.15258827  0.25337611  0.30450314  1.0
  O  O21  1  0.15243390  0.74614717  0.79653579  1.0
  O  O22  1  0.04999876  0.25001990  0.59995741  1.0
  O  O23  1  0.30477268  0.99980710  0.10130382  1.0
  O  O24  1  0.19961232  0.49997364  0.90003413  1.0
  O  O25  1  0.35013926  0.24990672  0.69984788  1.0
  O  O26  1  0.05107230  0.74625208  0.10160818  1.0
  O  O27  1  0.35013840  0.75006934  0.20013265  1.0
  O  O28  1  0.25379129  0.25349947  0.99963009  1.0
  O  O29  1  0.39967917  0.49984922  0.29971962  1.0
  O  O30  1  0.50000000  0.00000000  0.50000000  1.0
  O  O31  1  0.54981714  0.24961589  0.09981498  1.0
  O  O32  1  0.25021219  0.75010510  0.49993596  1.0
  O  O33  1  0.54988135  0.75031507  0.60009554  1.0
  O  O34  1  0.45011865  0.24968493  0.39990446  1.0
  O  O35  1  0.69522732  0.00019290  0.89869618  1.0
  O  O36  1  0.60032083  0.50015078  0.70028038  1.0
  O  O37  1  0.74978781  0.24989490  0.50006404  1.0
  O  O38  1  0.45018286  0.75038411  0.90018502  1.0
  O  O39  1  0.74620871  0.74650053  0.00036991  1.0
  O  O40  1  0.64986160  0.24993066  0.79986735  1.0
  O  O41  1  0.89891805  -0.00001603  0.30519712  1.0
  O  O42  1  0.80038768  0.50002636  0.09996587  1.0
  O  O43  1  0.94892770  0.25374792  0.89839182  1.0
  O  O44  1  0.64986074  0.75009328  0.30015212  1.0
  O  O45  1  0.95000124  0.74998010  0.40004259  1.0
  O  O46  1  0.84756610  0.25385283  0.20346421  1.0
  O  O47  1  -0.00000000  0.50000000  0.50000000  1.0
  O  O48  1  0.84741173  0.74662389  0.69549686  1.0