# generated using pymatgen data_ZrCd(CO2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15609536 _cell_length_b 9.15609536 _cell_length_c 24.01193400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999540 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCd(CO2)8 _chemical_formula_sum 'Zr3 Cd3 C24 O48' _cell_volume 1743.32519777 _cell_formula_units_Z 3 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 Zr Zr0 1 0.50000000 0.50000000 0.66666700 1.0 Zr Zr1 1 0.50000000 0.00000000 0.00000000 1.0 Zr Zr2 1 0.00000000 0.50000000 0.33333300 1.0 Cd Cd3 1 0.00000000 0.50000000 0.83333300 1.0 Cd Cd4 1 0.50000000 0.50000000 0.16666700 1.0 Cd Cd5 1 0.50000000 0.00000000 0.50000000 1.0 C C6 1 0.32163100 0.62169000 0.74890700 1.0 C C7 1 0.37831000 0.69994100 0.08224000 1.0 C C8 1 0.30005900 0.67836900 0.41557300 1.0 C C9 1 0.32163100 0.69994100 0.91776000 1.0 C C10 1 0.37831000 0.67836900 0.58442700 1.0 C C11 1 0.30005900 0.62169000 0.25109300 1.0 C C12 1 0.20750000 0.41504000 0.74766400 1.0 C C13 1 0.58496000 0.79246000 0.08099700 1.0 C C14 1 0.20754000 0.79250000 0.41433000 1.0 C C15 1 0.20750000 0.79246000 0.91900300 1.0 C C16 1 0.58496000 0.79250000 0.58567000 1.0 C C17 1 0.20754000 0.41504000 0.25233600 1.0 C C18 1 0.79250000 0.58496000 0.74766400 1.0 C C19 1 0.41504000 0.20754000 0.08099700 1.0 C C20 1 0.79246000 0.20750000 0.41433000 1.0 C C21 1 0.79250000 0.20754000 0.91900300 1.0 C C22 1 0.41504000 0.20750000 0.58567000 1.0 C C23 1 0.79246000 0.58496000 0.25233600 1.0 C C24 1 0.67836900 0.37831000 0.74890700 1.0 C C25 1 0.62169000 0.30005900 0.08224000 1.0 C C26 1 0.69994100 0.32163100 0.41557300 1.0 C C27 1 0.67836900 0.30005900 0.91776000 1.0 C C28 1 0.62169000 0.32163100 0.58442700 1.0 C C29 1 0.69994100 0.37831000 0.25109300 1.0 O O30 1 0.45333000 0.67500800 0.71916300 1.0 O O31 1 0.32499200 0.77832200 0.05249700 1.0 O O32 1 0.22167800 0.54667000 0.38583000 1.0 O O33 1 0.45333000 0.77832200 0.94750300 1.0 O O34 1 0.32499200 0.54667000 0.61417000 1.0 O O35 1 0.22167800 0.67500800 0.28083700 1.0 O O36 1 0.26836000 0.69743900 0.77719000 1.0 O O37 1 0.30256100 0.57092000 0.11052300 1.0 O O38 1 0.42908000 0.73164000 0.44385600 1.0 O O39 1 0.26836000 0.57092000 0.88947700 1.0 O O40 1 0.30256100 0.73164000 0.55614400 1.0 O O41 1 0.42908000 0.69743900 0.22281000 1.0 O O42 1 0.91907700 0.65507100 0.77737000 1.0 O O43 1 0.34492900 0.26400700 0.11070400 1.0 O O44 1 0.73599300 0.08092300 0.44403700 1.0 O O45 1 0.91907700 0.26400700 0.88929600 1.0 O O46 1 0.34492900 0.08092300 0.55596300 1.0 O O47 1 0.73599300 0.65507100 0.22263000 1.0 O O48 1 0.26704200 0.35068700 0.71437600 1.0 O O49 1 0.64931300 0.91635500 0.04771000 1.0 O O50 1 0.08364500 0.73295800 0.38104300 1.0 O O51 1 0.26704200 0.91635500 0.95229000 1.0 O O52 1 0.64931300 0.73295800 0.61895700 1.0 O O53 1 0.08364500 0.35068700 0.28562400 1.0 O O54 1 0.08092300 0.34492900 0.77737000 1.0 O O55 1 0.65507100 0.73599300 0.11070400 1.0 O O56 1 0.26400700 0.91907700 0.44403700 1.0 O O57 1 0.08092300 0.73599300 0.88929600 1.0 O O58 1 0.65507100 0.91907700 0.55596300 1.0 O O59 1 0.26400700 0.34492900 0.22263000 1.0 O O60 1 0.54667000 0.32499200 0.71916300 1.0 O O61 1 0.67500800 0.22167800 0.05249700 1.0 O O62 1 0.77832200 0.45333000 0.38583000 1.0 O O63 1 0.54667000 0.22167800 0.94750300 1.0 O O64 1 0.67500800 0.45333000 0.61417000 1.0 O O65 1 0.77832200 0.32499200 0.28083700 1.0 O O66 1 0.73164000 0.30256100 0.77719000 1.0 O O67 1 0.69743900 0.42908000 0.11052300 1.0 O O68 1 0.57092000 0.26836000 0.44385600 1.0 O O69 1 0.73164000 0.42908000 0.88947700 1.0 O O70 1 0.69743900 0.26836000 0.55614400 1.0 O O71 1 0.57092000 0.30256100 0.22281000 1.0 O O72 1 0.73295800 0.64931300 0.71437600 1.0 O O73 1 0.35068700 0.08364500 0.04771000 1.0 O O74 1 0.91635500 0.26704200 0.38104300 1.0 O O75 1 0.73295800 0.08364500 0.95229000 1.0 O O76 1 0.35068700 0.26704200 0.61895700 1.0 O O77 1 0.91635500 0.64931300 0.28562400 1.0