# generated using pymatgen data_Sr2YTiCu2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52845297 _cell_length_b 5.65822099 _cell_length_c 12.27155465 _cell_angle_alpha 103.30967080 _cell_angle_beta 102.94651851 _cell_angle_gamma 89.98640378 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2YTiCu2O7 _chemical_formula_sum 'Sr4 Y2 Ti2 Cu4 O14' _cell_volume 363.52853419 _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 Sr Sr0 1 0.35544800 0.33418700 0.71897000 1.0 Sr Sr1 1 0.63541800 0.66709000 0.28239800 1.0 Sr Sr2 1 0.85590200 0.88558400 0.71901000 1.0 Sr Sr3 1 0.13605200 0.11609200 0.28216200 1.0 Y Y4 1 0.98693900 0.00083000 0.00061600 1.0 Y Y5 1 0.48675300 0.50043400 0.00069800 1.0 Ti Ti6 1 0.28390100 0.67517000 0.50036400 1.0 Ti Ti7 1 0.78363800 0.32540200 0.50065800 1.0 Cu Cu8 1 0.92515400 0.44280500 0.87719400 1.0 Cu Cu9 1 0.04849500 0.55896500 0.12404100 1.0 Cu Cu10 1 0.42541300 0.93612000 0.87736100 1.0 Cu Cu11 1 0.54872500 0.06534200 0.12392400 1.0 O O12 1 0.12702200 0.37517500 0.50079700 1.0 O O13 1 0.62791100 0.62650300 0.50157000 1.0 O O14 1 0.18259800 0.19784200 0.87450300 1.0 O O15 1 0.30814400 0.80431900 0.12662600 1.0 O O16 1 0.68284000 0.17878000 0.87511600 1.0 O O17 1 0.80813300 0.82258000 0.12644000 1.0 O O18 1 0.66123700 0.67536200 0.86981400 1.0 O O19 1 0.79259300 0.32586800 0.13160600 1.0 O O20 1 0.16150700 0.69639300 0.87039800 1.0 O O21 1 0.29221200 0.30574700 0.13049300 1.0 O O22 1 0.26232700 0.88140400 0.63102700 1.0 O O23 1 0.63398000 0.12174200 0.36971700 1.0 O O24 1 0.76403100 0.25084800 0.63180800 1.0 O O25 1 0.13693400 0.74816600 0.36907200 1.0