# generated using pymatgen
data_Ba6Nb7O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18248958
_cell_length_b   9.18248987
_cell_length_c   9.18248905
_cell_angle_alpha   113.57062849
_cell_angle_beta   113.57062825
_cell_angle_gamma   113.57064081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Nb7O21
_chemical_formula_sum   'Ba6 Nb7 O21'
_cell_volume   485.00796187
_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  0.71692788  0.85956301  0.43492475  1.0
  Ba  Ba1  1  0.43492475  0.71692788  0.85956301  1.0
  Ba  Ba2  1  0.14043699  0.56507525  0.28307212  1.0
  Ba  Ba3  1  0.85956301  0.43492475  0.71692788  1.0
  Ba  Ba4  1  0.56507525  0.28307212  0.14043699  1.0
  Ba  Ba5  1  0.28307212  0.14043699  0.56507525  1.0
  Nb  Nb6  1  0.21270306  0.35421148  0.93059985  1.0
  Nb  Nb7  1  0.93059985  0.21270306  0.35421148  1.0
  Nb  Nb8  1  0.64578852  0.06940015  0.78729694  1.0
  Nb  Nb9  1  0.35421148  0.93059985  0.21270306  1.0
  Nb  Nb10  1  0.06940015  0.78729694  0.64578852  1.0
  Nb  Nb11  1  0.78729694  0.64578852  0.06940015  1.0
  Nb  Nb12  1  0.50000000  0.50000000  0.50000000  1.0
  O  O13  1  0.21757491  0.36294615  0.43545611  1.0
  O  O14  1  0.36294615  0.43545611  0.21757491  1.0
  O  O15  1  0.92766167  0.21835613  0.85538314  1.0
  O  O16  1  0.07224535  0.28649514  0.64343480  1.0
  O  O17  1  0.64343480  0.07224535  0.28649514  1.0
  O  O18  1  0.85538314  0.92766167  0.21835613  1.0
  O  O19  1  0.78164387  0.14461686  0.07233833  1.0
  O  O20  1  0.35656520  0.92775465  0.71350486  1.0
  O  O21  1  0.56454389  0.78242509  0.63705385  1.0
  O  O22  1  0.50000000  0.00000000  0.50000000  1.0
  O  O23  1  0.28649514  0.64343480  0.07224535  1.0
  O  O24  1  0.07233833  0.78164387  0.14461686  1.0
  O  O25  1  0.21835613  0.85538314  0.92766167  1.0
  O  O26  1  0.00000000  0.50000000  0.50000000  1.0
  O  O27  1  0.78242509  0.63705385  0.56454389  1.0
  O  O28  1  0.92775465  0.71350486  0.35656520  1.0
  O  O29  1  0.50000000  0.50000000  0.00000000  1.0
  O  O30  1  0.71350486  0.35656520  0.92775465  1.0
  O  O31  1  0.63705385  0.56454389  0.78242509  1.0
  O  O32  1  0.43545611  0.21757491  0.36294615  1.0
  O  O33  1  0.14461686  0.07233833  0.78164387  1.0