# generated using pymatgen data_Zr10C8N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79223179 _cell_length_b 8.79517009 _cell_length_c 11.01716898 _cell_angle_alpha 62.93948922 _cell_angle_beta 62.93032079 _cell_angle_gamma 44.49997799 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr10C8N _chemical_formula_sum 'Zr20 C16 N2' _cell_volume 519.99828129 _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 0.22496599 0.47909617 0.94664392 1.0 Zr Zr1 1 0.72188522 0.96641389 0.95622235 1.0 Zr Zr2 1 0.56411310 0.33134949 0.64841817 1.0 Zr Zr3 1 0.43588690 0.66865051 0.35158183 1.0 Zr Zr4 1 0.27811478 0.03358611 0.04377765 1.0 Zr Zr5 1 0.08199399 0.81404590 0.64461264 1.0 Zr Zr6 1 0.12426913 0.37183874 0.74988732 1.0 Zr Zr7 1 0.91800601 0.18595410 0.35538736 1.0 Zr Zr8 1 0.96703835 0.72128853 0.45595245 1.0 Zr Zr9 1 0.77503401 0.52090383 0.05335608 1.0 Zr Zr10 1 0.62780702 0.87632710 0.74934013 1.0 Zr Zr11 1 0.81336500 0.08153171 0.14495613 1.0 Zr Zr12 1 0.47849568 0.22326519 0.44727242 1.0 Zr Zr13 1 0.66911479 0.43640163 0.85143352 1.0 Zr Zr14 1 0.52150432 0.77673481 0.55272758 1.0 Zr Zr15 1 0.33088521 0.56359837 0.14856648 1.0 Zr Zr16 1 0.37219298 0.12367290 0.25065987 1.0 Zr Zr17 1 0.18663500 0.91846829 0.85504387 1.0 Zr Zr18 1 0.03296165 0.27871147 0.54404755 1.0 Zr Zr19 1 0.87573087 0.62816126 0.25011268 1.0 C C20 1 0.57671051 0.82695440 0.14636888 1.0 C C21 1 0.77731843 0.02455895 0.55079685 1.0 C C22 1 0.42328949 0.17304560 0.85363112 1.0 C C23 1 0.62577176 0.37652326 0.24885281 1.0 C C24 1 0.27453776 0.52889371 0.55201545 1.0 C C25 1 0.47359908 0.72466714 0.94947073 1.0 C C26 1 0.32221912 0.07591770 0.65084812 1.0 C C27 1 0.17294668 0.42394106 0.35180568 1.0 C C28 1 0.97500158 0.22508784 0.95044929 1.0 C C29 1 0.82705332 0.57605894 0.64819432 1.0 C C30 1 0.02499842 0.77491216 0.04955071 1.0 C C31 1 0.67778088 0.92408230 0.34915188 1.0 C C32 1 0.72546224 0.47110629 0.44798455 1.0 C C33 1 0.52640092 0.27533286 0.05052927 1.0 C C34 1 0.37422824 0.62347674 0.75114719 1.0 C C35 1 0.22268157 0.97544105 0.44920315 1.0 N N36 1 0.07528462 0.32237957 0.14880175 1.0 N N37 1 0.92471538 0.67762043 0.85119825 1.0