# generated using pymatgen data_BaYTi4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38298461 _cell_length_b 6.38298461 _cell_length_c 10.69684600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000632 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYTi4O7 _chemical_formula_sum 'Ba2 Y2 Ti8 O14' _cell_volume 377.42784903 _cell_formula_units_Z 2 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 0.66666700 0.33333300 0.50392700 1.0 Ba Ba1 1 0.33333300 0.66666700 0.00392700 1.0 Y Y2 1 0.66666700 0.33333300 0.86379800 1.0 Y Y3 1 0.33333300 0.66666700 0.36379800 1.0 Ti Ti4 1 0.84873800 0.15126200 0.18407300 1.0 Ti Ti5 1 0.69747600 0.84873800 0.68407300 1.0 Ti Ti6 1 0.15126200 0.30252400 0.68407300 1.0 Ti Ti7 1 0.84873800 0.69747600 0.18407300 1.0 Ti Ti8 1 0.30252400 0.15126200 0.18407300 1.0 Ti Ti9 1 0.15126200 0.84873800 0.68407300 1.0 Ti Ti10 1 0.00000000 0.00000000 0.48828400 1.0 Ti Ti11 1 0.00000000 0.00000000 0.98828400 1.0 O O12 1 0.82360700 0.17639300 0.00122700 1.0 O O13 1 0.64721300 0.82360700 0.50122700 1.0 O O14 1 0.17639300 0.35278700 0.50122700 1.0 O O15 1 0.82360700 0.64721300 0.00122700 1.0 O O16 1 0.35278700 0.17639300 0.00122700 1.0 O O17 1 0.17639300 0.82360700 0.50122700 1.0 O O18 1 0.00000000 0.00000000 0.79206800 1.0 O O19 1 0.00000000 0.00000000 0.29206800 1.0 O O20 1 0.50613600 0.49386400 0.24334000 1.0 O O21 1 0.01227300 0.50613600 0.74334000 1.0 O O22 1 0.49386400 0.98772700 0.74334000 1.0 O O23 1 0.50613600 0.01227300 0.24334000 1.0 O O24 1 0.49386400 0.50613600 0.74334000 1.0 O O25 1 0.98772700 0.49386400 0.24334000 1.0