# generated using pymatgen
data_Ba4Ti3NbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90604666
_cell_length_b   9.90604702
_cell_length_c   9.90604713
_cell_angle_alpha   33.53447632
_cell_angle_beta   33.53447166
_cell_angle_gamma   33.53447166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Ti3NbO12
_chemical_formula_sum   'Ba4 Ti3 Nb1 O12'
_cell_volume   264.23833191
_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  0.37410564  0.37410564  0.37410564  1.0
  Ba  Ba1  1  0.12389018  0.12389018  0.12389018  1.0
  Ba  Ba2  1  0.87610982  0.87610982  0.87610982  1.0
  Ba  Ba3  1  0.62589436  0.62589436  0.62589436  1.0
  Ti  Ti4  1  0.25251253  0.25251253  0.25251253  1.0
  Ti  Ti5  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti6  1  0.74748747  0.74748747  0.74748747  1.0
  Nb  Nb7  1  0.50000000  0.50000000  0.50000000  1.0
  O  O8  1  0.12532015  0.62461941  0.12532015  1.0
  O  O9  1  0.87467985  0.37538059  0.87467985  1.0
  O  O10  1  0.62576250  0.12237046  0.62576250  1.0
  O  O11  1  0.37423750  0.87762954  0.37423750  1.0
  O  O12  1  0.87467985  0.87467985  0.37538059  1.0
  O  O13  1  0.62576250  0.62576250  0.12237046  1.0
  O  O14  1  0.37423750  0.37423750  0.87762954  1.0
  O  O15  1  0.12532015  0.12532015  0.62461941  1.0
  O  O16  1  0.37538059  0.87467985  0.87467985  1.0
  O  O17  1  0.12237046  0.62576250  0.62576250  1.0
  O  O18  1  0.87762954  0.37423750  0.37423750  1.0
  O  O19  1  0.62461941  0.12532015  0.12532015  1.0