# generated using pymatgen
data_Ba2Nb5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21161373
_cell_length_b   4.21161373
_cell_length_c   12.33665254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Nb5O9
_chemical_formula_sum   'Ba2 Nb5 O9'
_cell_volume   218.82372099
_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  0.00000000  0.00000000  0.83116511  1.0
  Ba  Ba1  1  -0.00000000  -0.00000000  0.16883489  1.0
  Nb  Nb2  1  0.50000000  0.50000000  0.00000000  1.0
  Nb  Nb3  1  0.50000000  0.50000000  0.66230816  1.0
  Nb  Nb4  1  0.50000000  0.50000000  0.33769184  1.0
  Nb  Nb5  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb6  1  -0.00000000  0.50000000  0.50000000  1.0
  O  O7  1  -0.00000000  0.50000000  0.00000000  1.0
  O  O8  1  0.50000000  -0.00000000  0.00000000  1.0
  O  O9  1  0.50000000  0.50000000  0.83892244  1.0
  O  O10  1  0.50000000  0.50000000  0.16107756  1.0
  O  O11  1  -0.00000000  0.50000000  0.67306769  1.0
  O  O12  1  0.50000000  -0.00000000  0.67306769  1.0
  O  O13  1  0.00000000  0.50000000  0.32693231  1.0
  O  O14  1  -0.00000000  0.00000000  0.50000000  1.0
  O  O15  1  0.50000000  0.00000000  0.32693231  1.0