# generated using pymatgen
data_Ba2Ti6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77652290
_cell_length_b   7.77652290
_cell_length_c   9.10641651
_cell_angle_alpha   82.15857940
_cell_angle_beta   82.15857940
_cell_angle_gamma   29.52886897
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ti6O13
_chemical_formula_sum   'Ba2 Ti6 O13'
_cell_volume   268.70611161
_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  0.05218482  0.05218482  0.22079293  1.0
  Ba  Ba1  1  0.94781518  0.94781518  0.77920707  1.0
  Ti  Ti2  1  0.66940480  0.66940480  0.55628894  1.0
  Ti  Ti3  1  0.33059520  0.33059520  0.44371106  1.0
  Ti  Ti4  1  0.25216605  0.25216605  0.77660073  1.0
  Ti  Ti5  1  0.74783395  0.74783395  0.22339927  1.0
  Ti  Ti6  1  0.62150209  0.62150209  0.89992681  1.0
  Ti  Ti7  1  0.37849791  0.37849791  0.10007319  1.0
  O  O8  1  0.50000000  0.50000000  -0.00000000  1.0
  O  O9  1  0.42851397  0.42851397  0.30204083  1.0
  O  O10  1  0.57148603  0.57148603  0.69795917  1.0
  O  O11  1  0.36886181  0.36886181  0.62210520  1.0
  O  O12  1  0.63113819  0.63113819  0.37789480  1.0
  O  O13  1  0.32641057  0.32641057  0.92042886  1.0
  O  O14  1  0.67358943  0.67358943  0.07957114  1.0
  O  O15  1  0.19917706  0.19917706  0.56927678  1.0
  O  O16  1  0.87351954  0.87351954  0.11108848  1.0
  O  O17  1  0.12648046  0.12648046  0.88891152  1.0
  O  O18  1  0.25903379  0.25903379  0.24649205  1.0
  O  O19  1  0.74096621  0.74096621  0.75350795  1.0
  O  O20  1  0.80082294  0.80082294  0.43072322  1.0