# generated using pymatgen data_Ca11La8YSi16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61660888 _cell_length_b 8.03388389 _cell_length_c 15.35519455 _cell_angle_alpha 89.97174476 _cell_angle_beta 90.02519832 _cell_angle_gamma 89.97862174 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11La8YSi16 _chemical_formula_sum 'Ca11 La8 Y1 Si16' _cell_volume 939.59869195 _cell_formula_units_Z 1 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 Ca Ca0 1 0.31680549 0.18087385 0.62213902 1.0 Ca Ca1 1 0.68319071 0.81943662 0.37762719 1.0 Ca Ca2 1 0.64245664 0.00201824 0.74989217 1.0 Ca Ca3 1 0.18471606 0.68044777 0.37785927 1.0 Ca Ca4 1 0.81671751 0.31917978 0.87829857 1.0 Ca Ca5 1 0.81711605 0.31874456 0.62178430 1.0 Ca Ca6 1 0.85985785 0.49933987 0.25127851 1.0 Ca Ca7 1 0.35452142 0.00066812 0.25072355 1.0 Ca Ca8 1 0.31684666 0.17988713 0.87949668 1.0 Ca Ca9 1 0.18337455 0.68198781 0.12087056 1.0 Ca Ca10 1 0.14165387 0.49721180 0.74988235 1.0 La La11 1 0.03114017 0.18580179 0.39985636 1.0 La La12 1 0.53044883 0.31462337 0.40080693 1.0 La La13 1 0.46799018 0.68637830 0.90001995 1.0 La La14 1 0.46828004 0.68685887 0.60016019 1.0 La La15 1 0.96887571 0.81326419 0.59947523 1.0 La La16 1 0.96790084 0.81312459 0.89951661 1.0 La La17 1 0.53157729 0.31400807 0.10061684 1.0 La La18 1 0.03005457 0.18719830 0.09840653 1.0 Y Y19 1 0.68182615 0.81700554 0.12367513 1.0 Si Si20 1 0.25220799 0.87687278 0.75066188 1.0 Si Si21 1 0.47689462 0.59658777 0.24698096 1.0 Si Si22 1 0.02693876 0.09142084 0.75043937 1.0 Si Si23 1 0.52656472 0.40761352 0.75117812 1.0 Si Si24 1 0.14019244 0.47351549 0.53734759 1.0 Si Si25 1 0.96898796 0.90461767 0.24523479 1.0 Si Si26 1 0.74579146 0.11872043 0.24708084 1.0 Si Si27 1 0.85572674 0.53271288 0.03884186 1.0 Si Si28 1 0.36783181 0.97267151 0.04084469 1.0 Si Si29 1 0.13592358 0.47426962 0.96255575 1.0 Si Si30 1 0.63911817 0.02625156 0.53740148 1.0 Si Si31 1 0.36002063 0.97501267 0.46153779 1.0 Si Si32 1 0.86171188 0.52527813 0.46122625 1.0 Si Si33 1 0.75094747 0.62348985 0.75033537 1.0 Si Si34 1 0.25010417 0.37915944 0.24942036 1.0 Si Si35 1 0.64568501 0.02374628 0.96652396 1.0