# generated using pymatgen data_Ti10C8N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08098169 _cell_length_b 8.08100005 _cell_length_c 10.12627355 _cell_angle_alpha 62.96778569 _cell_angle_beta 62.94976436 _cell_angle_gamma 44.52918144 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti10C8N _chemical_formula_sum 'Ti20 C16 N2' _cell_volume 403.91586253 _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 Ti Ti0 1 0.22455589 0.48053394 0.94520425 1.0 Ti Ti1 1 0.72177554 0.96460252 0.95665915 1.0 Ti Ti2 1 0.56281552 0.33220483 0.64802440 1.0 Ti Ti3 1 0.43718448 0.66779517 0.35197560 1.0 Ti Ti4 1 0.27822446 0.03539748 0.04334085 1.0 Ti Ti5 1 0.08247170 0.81273784 0.64373349 1.0 Ti Ti6 1 0.12337458 0.37156389 0.75019947 1.0 Ti Ti7 1 0.91752830 0.18726216 0.35626651 1.0 Ti Ti8 1 0.96622472 0.72072501 0.45651803 1.0 Ti Ti9 1 0.77544411 0.51946606 0.05479575 1.0 Ti Ti10 1 0.62902179 0.87683118 0.74941221 1.0 Ti Ti11 1 0.81222924 0.08225586 0.14375156 1.0 Ti Ti12 1 0.47952939 0.22307218 0.44626486 1.0 Ti Ti13 1 0.66829559 0.43783587 0.85180939 1.0 Ti Ti14 1 0.52047061 0.77692782 0.55373514 1.0 Ti Ti15 1 0.33170441 0.56216413 0.14819061 1.0 Ti Ti16 1 0.37097821 0.12316882 0.25058779 1.0 Ti Ti17 1 0.18777076 0.91774414 0.85624844 1.0 Ti Ti18 1 0.03377528 0.27927499 0.54348197 1.0 Ti Ti19 1 0.87662542 0.62843611 0.24980053 1.0 C C20 1 0.57506986 0.82595813 0.14792799 1.0 C C21 1 0.77760615 0.02446279 0.55035526 1.0 C C22 1 0.42493014 0.17404187 0.85207201 1.0 C C23 1 0.62594044 0.37533933 0.24920472 1.0 C C24 1 0.27412975 0.52844866 0.55022094 1.0 C C25 1 0.47325253 0.72510862 0.95107520 1.0 C C26 1 0.32169716 0.07573693 0.65095007 1.0 C C27 1 0.17378940 0.42526911 0.35068471 1.0 C C28 1 0.97495635 0.22429439 0.95059841 1.0 C C29 1 0.82621060 0.57473089 0.64931529 1.0 C C30 1 0.02504365 0.77570561 0.04940159 1.0 C C31 1 0.67830284 0.92426307 0.34904993 1.0 C C32 1 0.72587025 0.47155134 0.44977906 1.0 C C33 1 0.52674747 0.27489138 0.04892480 1.0 C C34 1 0.37405956 0.62466067 0.75079528 1.0 C C35 1 0.22239385 0.97553721 0.44964474 1.0 N N36 1 0.07536440 0.32112391 0.14956643 1.0 N N37 1 0.92463560 0.67887609 0.85043357 1.0