# generated using pymatgen
data_Ba2Ti3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95401741
_cell_length_b   4.01293278
_cell_length_c   12.06416926
_cell_angle_alpha   89.82922889
_cell_angle_beta   90.36365735
_cell_angle_gamma   90.04140429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ti3O7
_chemical_formula_sum   'Ba2 Ti3 O7'
_cell_volume   191.41990656
_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  0.50128000  0.49215000  0.82175000  1.0
  Ba  Ba1  1  0.50660100  0.48941600  0.17856000  1.0
  Ti  Ti2  1  0.00830600  0.97632600  0.67264300  1.0
  Ti  Ti3  1  0.01946600  0.97096200  0.32774400  1.0
  Ti  Ti4  1  0.00272800  0.99179600  0.00016700  1.0
  O  O5  1  0.00167100  0.49258800  0.00015700  1.0
  O  O6  1  0.48314500  0.01327900  0.66287000  1.0
  O  O7  1  0.49397900  0.00808200  0.33749300  1.0
  O  O8  1  0.98757900  0.52177800  0.66140300  1.0
  O  O9  1  0.99821100  0.51621300  0.33891800  1.0
  O  O10  1  0.99968500  0.99571100  0.83410700  1.0
  O  O11  1  0.00427300  0.99317100  0.16620500  1.0