# generated using pymatgen data_BaTi6O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73709193 _cell_length_b 7.73709193 _cell_length_c 14.29815100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 98.48035462 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi6O11 _chemical_formula_sum 'Ba4 Ti24 O44' _cell_volume 846.56611201 _cell_formula_units_Z 4 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 0.58079700 0.58079700 0.42240000 1.0 Ba Ba1 1 0.90357000 0.90357000 0.59370700 1.0 Ba Ba2 1 0.41920300 0.41920300 0.92240000 1.0 Ba Ba3 1 0.09643000 0.09643000 0.09370700 1.0 Ti Ti4 1 0.30484100 0.05453800 0.32261400 1.0 Ti Ti5 1 0.45211300 0.20123900 0.68010500 1.0 Ti Ti6 1 0.94546200 0.69515900 0.82261400 1.0 Ti Ti7 1 0.79876100 0.54788700 0.18010500 1.0 Ti Ti8 1 0.20123900 0.45211300 0.68010500 1.0 Ti Ti9 1 0.05453800 0.30484100 0.32261400 1.0 Ti Ti10 1 0.54788700 0.79876100 0.18010500 1.0 Ti Ti11 1 0.69515900 0.94546200 0.82261400 1.0 Ti Ti12 1 0.50653400 0.00235900 0.49561900 1.0 Ti Ti13 1 0.99764100 0.49346600 0.99561900 1.0 Ti Ti14 1 0.00235900 0.50653400 0.49561900 1.0 Ti Ti15 1 0.49346600 0.99764100 0.99561900 1.0 Ti Ti16 1 0.17488300 0.67942300 0.34603300 1.0 Ti Ti17 1 0.81059500 0.34153500 0.64634500 1.0 Ti Ti18 1 0.32057700 0.82511700 0.84603300 1.0 Ti Ti19 1 0.65846500 0.18940500 0.14634500 1.0 Ti Ti20 1 0.34153500 0.81059500 0.64634500 1.0 Ti Ti21 1 0.67942300 0.17488300 0.34603300 1.0 Ti Ti22 1 0.18940500 0.65846500 0.14634500 1.0 Ti Ti23 1 0.82511700 0.32057700 0.84603300 1.0 Ti Ti24 1 0.24207400 0.24207400 0.49440300 1.0 Ti Ti25 1 0.75792600 0.75792600 0.99440300 1.0 Ti Ti26 1 0.92033900 0.92033900 0.33667800 1.0 Ti Ti27 1 0.07966100 0.07966100 0.83667800 1.0 O O28 1 0.12902000 0.87468000 0.25558500 1.0 O O29 1 0.62946600 0.34324200 0.74707600 1.0 O O30 1 0.12532000 0.87098000 0.75558500 1.0 O O31 1 0.65675800 0.37053400 0.24707600 1.0 O O32 1 0.34324200 0.62946600 0.74707600 1.0 O O33 1 0.87468000 0.12902000 0.25558500 1.0 O O34 1 0.37053400 0.65675800 0.24707600 1.0 O O35 1 0.87098000 0.12532000 0.75558500 1.0 O O36 1 0.34684800 0.85497700 0.40901200 1.0 O O37 1 0.64756600 0.15695000 0.59036400 1.0 O O38 1 0.14502300 0.65315200 0.90901200 1.0 O O39 1 0.84305000 0.35243400 0.09036400 1.0 O O40 1 0.15695000 0.64756600 0.59036400 1.0 O O41 1 0.85497700 0.34684800 0.40901200 1.0 O O42 1 0.35243400 0.84305000 0.09036400 1.0 O O43 1 0.65315200 0.14502300 0.90901200 1.0 O O44 1 0.46309100 0.21742600 0.41820100 1.0 O O45 1 0.29373600 0.02984700 0.58269000 1.0 O O46 1 0.78257400 0.53690900 0.91820100 1.0 O O47 1 0.97015300 0.70626400 0.08269000 1.0 O O48 1 0.02984700 0.29373600 0.58269000 1.0 O O49 1 0.21742600 0.46309100 0.41820100 1.0 O O50 1 0.70626400 0.97015300 0.08269000 1.0 O O51 1 0.53690900 0.78257400 0.91820100 1.0 O O52 1 0.75085300 0.75085300 0.25583700 1.0 O O53 1 0.76151700 0.76151700 0.75326900 1.0 O O54 1 0.24914700 0.24914700 0.75583700 1.0 O O55 1 0.23848300 0.23848300 0.25326900 1.0 O O56 1 0.53020400 0.79322100 0.57356100 1.0 O O57 1 0.71788400 0.96432700 0.42014000 1.0 O O58 1 0.20677900 0.46979600 0.07356100 1.0 O O59 1 0.03567300 0.28211600 0.92014000 1.0 O O60 1 0.96432700 0.71788400 0.42014000 1.0 O O61 1 0.79322100 0.53020400 0.57356100 1.0 O O62 1 0.28211600 0.03567300 0.92014000 1.0 O O63 1 0.46979600 0.20677900 0.07356100 1.0 O O64 1 0.08534500 0.08534500 0.40983100 1.0 O O65 1 0.37982500 0.37982500 0.59738100 1.0 O O66 1 0.91465500 0.91465500 0.90983100 1.0 O O67 1 0.62017500 0.62017500 0.09738100 1.0 O O68 1 0.52516400 0.02713500 0.24780300 1.0 O O69 1 0.47483600 0.97286500 0.74780300 1.0 O O70 1 0.97286500 0.47483600 0.74780300 1.0 O O71 1 0.02713500 0.52516400 0.24780300 1.0