# generated using pymatgen data_Zr20C17O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80669499 _cell_length_b 8.80765544 _cell_length_c 11.03948741 _cell_angle_alpha 62.93843367 _cell_angle_beta 62.95297663 _cell_angle_gamma 44.49543912 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr20C17O _chemical_formula_sum 'Zr20 C17 O1' _cell_volume 522.67167725 _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 Zr Zr0 1 0.22716476 0.48138193 0.94298167 1.0 Zr Zr1 1 0.72177582 0.96713972 0.95600182 1.0 Zr Zr2 1 0.56369604 0.33099802 0.64844606 1.0 Zr Zr3 1 0.43654208 0.66793769 0.35145744 1.0 Zr Zr4 1 0.28120715 0.02994777 0.04119262 1.0 Zr Zr5 1 0.08204937 0.81359993 0.64497372 1.0 Zr Zr6 1 0.12381193 0.37294619 0.75006161 1.0 Zr Zr7 1 0.91514542 0.18318557 0.35913777 1.0 Zr Zr8 1 0.96724017 0.72067955 0.45692078 1.0 Zr Zr9 1 0.77017144 0.52513563 0.05032903 1.0 Zr Zr10 1 0.62765103 0.87662873 0.74879758 1.0 Zr Zr11 1 0.81401732 0.08316088 0.14433488 1.0 Zr Zr12 1 0.47737346 0.22410713 0.44796259 1.0 Zr Zr13 1 0.66973037 0.43664597 0.85085869 1.0 Zr Zr14 1 0.52128486 0.77635844 0.55379255 1.0 Zr Zr15 1 0.33032050 0.56329809 0.14852159 1.0 Zr Zr16 1 0.37771542 0.11926487 0.25281940 1.0 Zr Zr17 1 0.18595784 0.91930760 0.85479555 1.0 Zr Zr18 1 0.03263754 0.27849069 0.54424350 1.0 Zr Zr19 1 0.87265137 0.63356017 0.25176083 1.0 C C20 1 0.92538518 0.67658192 0.85168914 1.0 C C21 1 0.57512797 0.82786247 0.14749568 1.0 C C22 1 0.77739876 0.02662505 0.54896567 1.0 C C23 1 0.42231508 0.17339399 0.85431694 1.0 C C24 1 0.62721725 0.37550397 0.24911892 1.0 C C25 1 0.27543793 0.52819660 0.55064953 1.0 C C26 1 0.47289659 0.72585426 0.95091631 1.0 C C27 1 0.32228735 0.07499906 0.64994965 1.0 C C28 1 0.17250286 0.42404920 0.35130713 1.0 C C29 1 0.97559910 0.22356494 0.95191633 1.0 C C30 1 0.82629553 0.57617186 0.64753003 1.0 C C31 1 0.02558927 0.77318585 0.05129817 1.0 C C32 1 0.67731585 0.92330065 0.34809993 1.0 C C33 1 0.72604737 0.47042176 0.44735340 1.0 C C34 1 0.52576021 0.27605934 0.05180169 1.0 C C35 1 0.37509840 0.62302181 0.75128284 1.0 C C36 1 0.22280582 0.97731510 0.44706202 1.0 O O37 1 0.07677563 0.32011662 0.14985797 1.0