# generated using pymatgen data_Y2Si4CN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.92293749 _cell_length_b 5.92346145 _cell_length_c 11.88137318 _cell_angle_alpha 60.37528891 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2Si4CN6 _chemical_formula_sum 'Y8 Si16 C4 N24' _cell_volume 607.07598605 _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 Y Y0 1 0.41296568 0.34399245 0.41819612 1.0 Y Y1 1 0.91296568 0.65600755 0.08180388 1.0 Y Y2 1 0.58703432 0.65600755 0.58180388 1.0 Y Y3 1 0.08703432 0.34399245 0.91819612 1.0 Y Y4 1 0.56660755 0.67078222 0.09449233 1.0 Y Y5 1 0.06660755 0.32921778 0.40550767 1.0 Y Y6 1 0.43339245 0.32921778 0.90550767 1.0 Y Y7 1 0.93339245 0.67078222 0.59449233 1.0 Si Si8 1 0.22738865 0.32266889 0.15875124 1.0 Si Si9 1 0.72738865 0.67733111 0.34124876 1.0 Si Si10 1 0.77261135 0.67733111 0.84124876 1.0 Si Si11 1 0.27261135 0.32266889 0.65875124 1.0 Si Si12 1 0.20602486 0.79903997 0.17608432 1.0 Si Si13 1 0.70602486 0.20096003 0.32391568 1.0 Si Si14 1 0.79397514 0.20096003 0.82391568 1.0 Si Si15 1 0.29397514 0.79903997 0.67608432 1.0 Si Si16 1 0.21243602 0.83604704 0.42058206 1.0 Si Si17 1 0.71243602 0.16395296 0.07941794 1.0 Si Si18 1 0.78756398 0.16395296 0.57941794 1.0 Si Si19 1 0.28756398 0.83604704 0.92058206 1.0 Si Si20 1 0.47959280 0.99587310 0.24997363 1.0 Si Si21 1 0.97959280 0.00412690 0.25002637 1.0 Si Si22 1 0.52040720 0.00412690 0.75002637 1.0 Si Si23 1 0.02040720 0.99587310 0.74997363 1.0 C C24 1 0.29170564 0.97649965 0.25287089 1.0 C C25 1 0.79170564 0.02350035 0.24712911 1.0 C C26 1 0.70829436 0.02350035 0.74712911 1.0 C C27 1 0.20829436 0.97649965 0.75287089 1.0 N N28 1 0.05375779 0.29755849 0.13728351 1.0 N N29 1 0.55375779 0.70244151 0.36271649 1.0 N N30 1 0.94624221 0.70244151 0.86271649 1.0 N N31 1 0.44624221 0.29755849 0.63728351 1.0 N N32 1 0.26240662 0.48157335 0.24501528 1.0 N N33 1 0.76240662 0.51842665 0.25498472 1.0 N N34 1 0.73759338 0.51842665 0.75498472 1.0 N N35 1 0.23759338 0.48157335 0.74501528 1.0 N N36 1 0.28930740 0.49634021 0.00127744 1.0 N N37 1 0.78930740 0.50365979 0.49872256 1.0 N N38 1 0.71069260 0.50365979 0.99872256 1.0 N N39 1 0.21069260 0.49634021 0.50127744 1.0 N N40 1 0.03635673 0.75936091 0.22175776 1.0 N N41 1 0.53635673 0.24063909 0.27824224 1.0 N N42 1 0.96364327 0.24063909 0.77824224 1.0 N N43 1 0.46364327 0.75936091 0.72175776 1.0 N N44 1 0.04449597 0.93959619 0.39875167 1.0 N N45 1 0.54449597 0.06040381 0.10124833 1.0 N N46 1 0.95550403 0.06040381 0.60124833 1.0 N N47 1 0.45550403 0.93959619 0.89875167 1.0 N N48 1 0.28542929 0.96099021 0.50972720 1.0 N N49 1 0.78542929 0.03900979 0.99027280 1.0 N N50 1 0.71457071 0.03900979 0.49027280 1.0 N N51 1 0.21457071 0.96099021 0.00972720 1.0