# generated using pymatgen
data_Ba3Nb16O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.29508603
_cell_length_b   12.29508603
_cell_length_c   4.20094439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.48558527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Nb16O23
_chemical_formula_sum   'Ba3 Nb16 O23'
_cell_volume   558.17179564
_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  0.20105816  0.79894184  -0.00000000  1.0
  Ba  Ba1  1  0.79894184  0.20105816  -0.00000000  1.0
  Ba  Ba2  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Nb  Nb3  1  0.47218522  0.86219159  0.50000000  1.0
  Nb  Nb4  1  0.52781478  0.13780841  0.50000000  1.0
  Nb  Nb5  1  0.86219159  0.47218522  0.50000000  1.0
  Nb  Nb6  1  0.13780841  0.52781478  0.50000000  1.0
  Nb  Nb7  1  0.72964316  0.93175779  0.50000000  1.0
  Nb  Nb8  1  0.27035684  0.06824221  0.50000000  1.0
  Nb  Nb9  1  0.93175779  0.72964316  0.50000000  1.0
  Nb  Nb10  1  0.06824221  0.27035684  0.50000000  1.0
  Nb  Nb11  1  0.60127315  0.39872685  0.50000000  1.0
  Nb  Nb12  1  0.39872685  0.60127315  0.50000000  1.0
  Nb  Nb13  1  0.56927410  0.77250095  -0.00000000  1.0
  Nb  Nb14  1  0.43072590  0.22749905  -0.00000000  1.0
  Nb  Nb15  1  0.77250095  0.56927410  -0.00000000  1.0
  Nb  Nb16  1  0.22749905  0.43072590  0.00000000  1.0
  Nb  Nb17  1  0.67272119  0.67272119  0.50000000  1.0
  Nb  Nb18  1  0.32727881  0.32727881  0.50000000  1.0
  O  O19  1  0.10299140  0.89700860  0.50000000  1.0
  O  O20  1  0.89700860  0.10299140  0.50000000  1.0
  O  O21  1  0.70137846  0.29862154  0.50000000  1.0
  O  O22  1  0.29862154  0.70137846  0.50000000  1.0
  O  O23  1  0.53968640  0.14049887  -0.00000000  1.0
  O  O24  1  0.46031360  0.85950113  0.00000000  1.0
  O  O25  1  0.14049887  0.53968640  -0.00000000  1.0
  O  O26  1  0.85950113  0.46031360  0.00000000  1.0
  O  O27  1  0.63437760  0.03382561  0.50000000  1.0
  O  O28  1  0.36562240  0.96617439  0.50000000  1.0
  O  O29  1  0.03382561  0.63437760  0.50000000  1.0
  O  O30  1  0.96617439  0.36562240  0.50000000  1.0
  O  O31  1  0.73958416  0.93786965  -0.00000000  1.0
  O  O32  1  0.26041584  0.06213035  -0.00000000  1.0
  O  O33  1  0.93786965  0.73958416  -0.00000000  1.0
  O  O34  1  0.06213035  0.26041584  -0.00000000  1.0
  O  O35  1  0.84062602  0.84062602  0.50000000  1.0
  O  O36  1  0.15937398  0.15937398  0.50000000  1.0
  O  O37  1  0.59653951  0.40346049  -0.00000000  1.0
  O  O38  1  0.50000000  0.50000000  0.50000000  1.0
  O  O39  1  0.33448485  0.33448485  -0.00000000  1.0
  O  O40  1  0.66551515  0.66551515  0.00000000  1.0
  O  O41  1  0.40346049  0.59653951  -0.00000000  1.0