# generated using pymatgen data_CaHo5(Si3Ru)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.07320830 _cell_length_b 10.07320830 _cell_length_c 8.09890985 _cell_angle_alpha 89.94534830 _cell_angle_beta 90.05464870 _cell_angle_gamma 132.61443494 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHo5(Si3Ru)8 _chemical_formula_sum 'Ca1 Ho5 Si24 Ru8' _cell_volume 604.77860669 _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 0.50231703 0.00231703 0.75000000 1.0 Ho Ho1 1 0.50029437 0.50035698 0.50039118 1.0 Ho Ho2 1 0.00035698 0.00029437 0.99960882 1.0 Ho Ho3 1 0.99807984 0.49807984 0.25000000 1.0 Ho Ho4 1 0.49694674 0.99694674 0.25000000 1.0 Ho Ho5 1 0.00300999 0.50300999 0.75000000 1.0 Si Si6 1 0.79410820 0.20514596 0.50017768 1.0 Si Si7 1 0.29483846 0.70634243 0.99914048 1.0 Si Si8 1 0.20634243 0.79483846 0.50085952 1.0 Si Si9 1 0.70514596 0.29410820 0.99982232 1.0 Si Si10 1 0.33369686 0.33485520 0.83399045 1.0 Si Si11 1 0.66530339 0.66778062 0.16574102 1.0 Si Si12 1 0.16778062 0.16530339 0.33425898 1.0 Si Si13 1 0.83485520 0.83369686 0.66600955 1.0 Si Si14 1 0.11968855 0.88514183 0.72737771 1.0 Si Si15 1 0.11222529 0.87859572 0.27359999 1.0 Si Si16 1 0.61208974 0.37850622 0.22690865 1.0 Si Si17 1 0.62345624 0.38898715 0.77249412 1.0 Si Si18 1 0.87850622 0.11208974 0.27309135 1.0 Si Si19 1 0.88898715 0.12345624 0.72750588 1.0 Si Si20 1 0.38514183 0.61968855 0.77262229 1.0 Si Si21 1 0.37859572 0.61222529 0.22640001 1.0 Si Si22 1 0.34441904 0.11013905 0.50345395 1.0 Si Si23 1 0.89015180 0.65657107 0.49520317 1.0 Si Si24 1 0.38956811 0.15492835 0.00691233 1.0 Si Si25 1 0.84320929 0.61012963 0.99458982 1.0 Si Si26 1 0.65492835 0.88956811 0.49308767 1.0 Si Si27 1 0.11012963 0.34320929 0.50541018 1.0 Si Si28 1 0.61013905 0.84441904 0.99654605 1.0 Si Si29 1 0.15657107 0.39015180 0.00479683 1.0 Ru Ru30 1 0.67101099 0.33256142 0.49812334 1.0 Ru Ru31 1 0.16638719 0.82870459 0.00246227 1.0 Ru Ru32 1 0.32870459 0.66638719 0.49753773 1.0 Ru Ru33 1 0.83256142 0.17101099 0.00187666 1.0 Ru Ru34 1 0.12729305 0.12718808 0.62765520 1.0 Ru Ru35 1 0.87255035 0.87341921 0.37281726 1.0 Ru Ru36 1 0.37341921 0.37255035 0.12718274 1.0 Ru Ru37 1 0.62718808 0.62729305 0.87234480 1.0