# generated using pymatgen data_Y3Si6N11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90037716 _cell_length_b 9.90037716 _cell_length_c 4.85122253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Si6N11 _chemical_formula_sum 'Y6 Si12 N22' _cell_volume 475.50454866 _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 0.31747607 0.81747607 0.98735538 1.0 Y Y1 1 0.68252393 0.18252393 0.98735538 1.0 Y Y2 1 0.18252393 0.31747607 0.98735538 1.0 Y Y3 1 0.81747607 0.68252393 0.98735538 1.0 Y Y4 1 0.50000000 0.50000000 0.97504265 1.0 Y Y5 1 0.00000000 0.00000000 0.97504265 1.0 Si Si6 1 0.42012415 0.29179305 0.53266990 1.0 Si Si7 1 0.57987585 0.70820695 0.53266990 1.0 Si Si8 1 0.07987585 0.79179305 0.53266990 1.0 Si Si9 1 0.92012415 0.20820695 0.53266990 1.0 Si Si10 1 0.29179305 0.57987585 0.53266990 1.0 Si Si11 1 0.70820695 0.42012415 0.53266990 1.0 Si Si12 1 0.79179305 0.92012415 0.53266990 1.0 Si Si13 1 0.20820695 0.07987585 0.53266990 1.0 Si Si14 1 0.88088808 0.38088808 0.04449714 1.0 Si Si15 1 0.11911192 0.61911192 0.04449714 1.0 Si Si16 1 0.61911192 0.88088808 0.04449714 1.0 Si Si17 1 0.38088808 0.11911192 0.04449714 1.0 N N18 1 0.31877212 0.42080997 0.65433507 1.0 N N19 1 0.68122788 0.57919003 0.65433507 1.0 N N20 1 0.18122788 0.92080997 0.65433507 1.0 N N21 1 0.81877212 0.07919003 0.65433507 1.0 N N22 1 0.42080997 0.68122788 0.65433507 1.0 N N23 1 0.57919003 0.31877212 0.65433507 1.0 N N24 1 0.92080997 0.81877212 0.65433507 1.0 N N25 1 0.07919003 0.18122788 0.65433507 1.0 N N26 1 0.42094596 0.27643013 0.17839612 1.0 N N27 1 0.57905404 0.72356987 0.17839612 1.0 N N28 1 0.07905404 0.77643013 0.17839612 1.0 N N29 1 0.92094596 0.22356987 0.17839612 1.0 N N30 1 0.27643013 0.57905404 0.17839612 1.0 N N31 1 0.72356987 0.42094596 0.17839612 1.0 N N32 1 0.77643013 0.92094596 0.17839612 1.0 N N33 1 0.22356987 0.07905404 0.17839612 1.0 N N34 1 0.84748222 0.34748222 0.69655714 1.0 N N35 1 0.15251778 0.65251778 0.69655714 1.0 N N36 1 0.65251778 0.84748222 0.69655714 1.0 N N37 1 0.34748222 0.15251778 0.69655714 1.0 N N38 1 0.50000000 0.00000000 0.07507365 1.0 N N39 1 0.00000000 0.50000000 0.07507365 1.0