# generated using pymatgen data_YAl3O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27266605 _cell_length_b 7.27266605 _cell_length_c 5.88754684 _cell_angle_alpha 67.40649783 _cell_angle_beta 67.40649783 _cell_angle_gamma 79.32451439 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAl3O6 _chemical_formula_sum 'Y2 Al6 O12' _cell_volume 265.17950377 _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 Y Y0 1 0.26114600 0.73885400 0.75000000 1.0 Y Y1 1 0.73885400 0.26114600 0.25000000 1.0 Al Al2 1 0.20808100 0.35689100 0.24508000 1.0 Al Al3 1 0.82675400 0.17324600 0.75000000 1.0 Al Al4 1 0.35689100 0.20808100 0.74508000 1.0 Al Al5 1 0.64310900 0.79191900 0.25492000 1.0 Al Al6 1 0.17324600 0.82675400 0.25000000 1.0 Al Al7 1 0.79191900 0.64310900 0.75492000 1.0 O O8 1 0.38764600 0.27513000 0.40402200 1.0 O O9 1 0.84383400 0.38697500 0.80834500 1.0 O O10 1 0.78754800 0.00678600 0.08046200 1.0 O O11 1 0.27513000 0.38764600 0.90402200 1.0 O O12 1 0.99321400 0.21245200 0.41953800 1.0 O O13 1 0.61302500 0.15616600 0.69165500 1.0 O O14 1 0.38697500 0.84383400 0.30834500 1.0 O O15 1 0.00678600 0.78754800 0.58046200 1.0 O O16 1 0.72487000 0.61235400 0.09597800 1.0 O O17 1 0.21245200 0.99321400 0.91953800 1.0 O O18 1 0.15616600 0.61302500 0.19165500 1.0 O O19 1 0.61235400 0.72487000 0.59597800 1.0