# generated using pymatgen data_Zr10C8O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64970724 _cell_length_b 8.80682029 _cell_length_c 10.51764698 _cell_angle_alpha 68.92485441 _cell_angle_beta 71.54608736 _cell_angle_gamma 67.79398431 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr10C8O _chemical_formula_sum 'Zr20 C16 O2' _cell_volume 520.35158645 _cell_formula_units_Z 2 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 0.99752675 0.00894248 0.00503789 1.0 Zr Zr1 1 0.50444078 0.99889239 0.99115360 1.0 Zr Zr2 1 0.14387496 0.89362486 0.30162888 1.0 Zr Zr3 1 0.80612604 0.80637514 0.59837112 1.0 Zr Zr4 1 0.44555922 0.70110761 0.90884640 1.0 Zr Zr5 1 0.65831480 0.89268016 0.30889650 1.0 Zr Zr6 1 0.10736532 0.59275383 0.20210171 1.0 Zr Zr7 1 0.29168520 0.80731984 0.59110350 1.0 Zr Zr8 1 0.75378113 0.49546760 0.49315960 1.0 Zr Zr9 1 0.95247325 0.69105752 0.89496211 1.0 Zr Zr10 1 0.59396126 0.59805317 0.20392756 1.0 Zr Zr11 1 0.39331327 0.39176714 0.80494285 1.0 Zr Zr12 1 0.25035465 0.49898919 0.50294343 1.0 Zr Zr13 1 0.03904386 0.30819715 0.09922629 1.0 Zr Zr14 1 0.69964535 0.20101081 0.39705657 1.0 Zr Zr15 1 0.91095614 0.39180285 0.80077371 1.0 Zr Zr16 1 0.35603874 0.10194683 0.69607244 1.0 Zr Zr17 1 0.55668673 0.30823286 0.09505715 1.0 Zr Zr18 1 0.19621887 0.20453240 0.40684040 1.0 Zr Zr19 1 0.84263468 0.10724617 0.69789829 1.0 C C20 1 0.64813550 0.90065453 0.80376461 1.0 C C21 1 0.45086383 0.70394603 0.39884560 1.0 C C22 1 0.30186450 0.79934547 0.09623539 1.0 C C23 1 0.09904497 0.60246365 0.70220935 1.0 C C24 1 0.94561784 0.70486854 0.39788328 1.0 C C25 1 0.74965272 0.50160573 0.99983923 1.0 C C26 1 0.39933538 0.40127408 0.29811129 1.0 C C27 1 0.05193358 0.29785279 0.59906312 1.0 C C28 1 0.24830660 0.50349126 0.99840707 1.0 C C29 1 0.89806642 0.40214721 0.30093688 1.0 C C30 1 0.70169340 0.19650874 0.90159293 1.0 C C31 1 0.55066462 0.29872592 0.60188871 1.0 C C32 1 0.00438216 0.99513146 0.50211672 1.0 C C33 1 0.20034728 0.19839427 0.90016077 1.0 C C34 1 0.85095503 0.09753635 0.19779065 1.0 C C35 1 0.49913617 0.99605397 0.50115440 1.0 O O36 1 0.15006670 0.89649737 0.80257643 1.0 O O37 1 0.79993330 0.80350263 0.09742357 1.0