# generated using pymatgen
data_Ba4Ti4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01617307
_cell_length_b   7.01617307
_cell_length_c   17.30264185
_cell_angle_alpha   88.67343685
_cell_angle_beta   88.67343685
_cell_angle_gamma   69.70670019
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Ti4O9
_chemical_formula_sum   'Ba12 Ti12 O27'
_cell_volume   798.56506490
_cell_formula_units_Z   3
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  0.87759500  0.37441900  0.58238000  1.0
  Ba  Ba1  1  0.37441900  0.87759500  0.58238000  1.0
  Ba  Ba2  1  0.12045000  0.62664700  0.75090100  1.0
  Ba  Ba3  1  0.87389800  0.37888500  0.91585000  1.0
  Ba  Ba4  1  0.62111500  0.12610200  0.08415000  1.0
  Ba  Ba5  1  0.37335300  0.87955000  0.24909900  1.0
  Ba  Ba6  1  0.12240500  0.62558100  0.41762000  1.0
  Ba  Ba7  1  0.62664700  0.12045000  0.75090100  1.0
  Ba  Ba8  1  0.37888500  0.87389800  0.91585000  1.0
  Ba  Ba9  1  0.12610200  0.62111500  0.08415000  1.0
  Ba  Ba10  1  0.87955000  0.37335300  0.24909900  1.0
  Ba  Ba11  1  0.62558100  0.12240500  0.41762000  1.0
  Ti  Ti12  1  0.61554400  0.61554400  0.74527800  1.0
  Ti  Ti13  1  0.37530100  0.37530100  0.91753500  1.0
  Ti  Ti14  1  0.11627100  0.11627100  0.07812600  1.0
  Ti  Ti15  1  0.87377300  0.87377300  0.25006800  1.0
  Ti  Ti16  1  0.61602900  0.61602900  0.41203600  1.0
  Ti  Ti17  1  0.12622700  0.12622700  0.74993200  1.0
  Ti  Ti18  1  0.38445600  0.38445600  0.25472200  1.0
  Ti  Ti19  1  0.88372900  0.88372900  0.92187400  1.0
  Ti  Ti20  1  0.62469900  0.62469900  0.08246500  1.0
  Ti  Ti21  1  0.12648900  0.12648900  0.41688600  1.0
  Ti  Ti22  1  0.87351100  0.87351100  0.58311400  1.0
  Ti  Ti23  1  0.38397100  0.38397100  0.58796400  1.0
  O  O24  1  0.12041400  0.62433200  0.58172300  1.0
  O  O25  1  0.87815800  0.37727500  0.75229900  1.0
  O  O26  1  0.62059800  0.12401300  0.91487600  1.0
  O  O27  1  0.37940200  0.87598700  0.08512400  1.0
  O  O28  1  0.75336400  0.75336400  0.66796800  1.0
  O  O29  1  0.50241400  0.50241400  0.83577000  1.0
  O  O30  1  0.00211400  0.00211400  0.16892500  1.0
  O  O31  1  0.75377100  0.75377100  0.33411300  1.0
  O  O32  1  0.25319900  0.25319900  0.00142400  1.0
  O  O33  1  0.50000000  0.50000000  0.50000000  1.0
  O  O34  1  0.49894600  0.49894600  0.66747800  1.0
  O  O35  1  0.00000000  0.00000000  0.00000000  1.0
  O  O36  1  0.62433200  0.12041400  0.58172300  1.0
  O  O37  1  0.37566800  0.87958600  0.41827700  1.0
  O  O38  1  0.37727500  0.87815800  0.75229900  1.0
  O  O39  1  0.12401300  0.62059800  0.91487600  1.0
  O  O40  1  0.87598700  0.37940200  0.08512400  1.0
  O  O41  1  0.62272500  0.12184200  0.24770100  1.0
  O  O42  1  0.24622900  0.24622900  0.66588700  1.0
  O  O43  1  0.99788600  0.99788600  0.83107500  1.0
  O  O44  1  0.49758600  0.49758600  0.16423000  1.0
  O  O45  1  0.24663600  0.24663600  0.33203200  1.0
  O  O46  1  0.74680100  0.74680100  0.99857600  1.0
  O  O47  1  0.00000000  0.00000000  0.50000000  1.0
  O  O48  1  0.12184200  0.62272500  0.24770100  1.0
  O  O49  1  0.87958600  0.37566800  0.41827700  1.0
  O  O50  1  0.50105400  0.50105400  0.33252200  1.0