# generated using pymatgen data_ScC3(N3F2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.17568100 _cell_length_b 13.17568100 _cell_length_c 13.17568100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScC3(N3F2)3 _chemical_formula_sum 'Sc8 C24 N72 F48' _cell_volume 2287.27937792 _cell_formula_units_Z 8 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 Sc Sc0 1 0.50000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.50000000 0.50000000 0.50000000 1.0 Sc Sc2 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.50000000 0.00000000 1.0 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.50000000 0.50000000 1.0 Sc Sc6 1 0.50000000 0.00000000 0.50000000 1.0 Sc Sc7 1 0.50000000 0.50000000 0.00000000 1.0 C C8 1 0.73837800 0.04100500 0.21424300 1.0 C C9 1 0.26162200 0.54100500 0.28575700 1.0 C C10 1 0.76162200 0.95899500 0.71424300 1.0 C C11 1 0.23837800 0.45899500 0.78575700 1.0 C C12 1 0.21424300 0.73837800 0.04100500 1.0 C C13 1 0.28575700 0.26162200 0.54100500 1.0 C C14 1 0.71424300 0.76162200 0.95899500 1.0 C C15 1 0.78575700 0.23837800 0.45899500 1.0 C C16 1 0.04100500 0.21424300 0.73837800 1.0 C C17 1 0.54100500 0.28575700 0.26162200 1.0 C C18 1 0.95899500 0.71424300 0.76162200 1.0 C C19 1 0.45899500 0.78575700 0.23837800 1.0 C C20 1 0.26162200 0.95899500 0.78575700 1.0 C C21 1 0.73837800 0.45899500 0.71424300 1.0 C C22 1 0.23837800 0.04100500 0.28575700 1.0 C C23 1 0.76162200 0.54100500 0.21424300 1.0 C C24 1 0.78575700 0.26162200 0.95899500 1.0 C C25 1 0.71424300 0.73837800 0.45899500 1.0 C C26 1 0.28575700 0.23837800 0.04100500 1.0 C C27 1 0.21424300 0.76162200 0.54100500 1.0 C C28 1 0.95899500 0.78575700 0.26162200 1.0 C C29 1 0.45899500 0.71424300 0.73837800 1.0 C C30 1 0.04100500 0.28575700 0.23837800 1.0 C C31 1 0.54100500 0.21424300 0.76162200 1.0 N N32 1 0.75851200 0.03679300 0.11186800 1.0 N N33 1 0.24148800 0.53679300 0.38813200 1.0 N N34 1 0.74148800 0.96320700 0.61186800 1.0 N N35 1 0.25851200 0.46320700 0.88813200 1.0 N N36 1 0.11186800 0.75851200 0.03679300 1.0 N N37 1 0.38813200 0.24148800 0.53679300 1.0 N N38 1 0.61186800 0.74148800 0.96320700 1.0 N N39 1 0.88813200 0.25851200 0.46320700 1.0 N N40 1 0.03679300 0.11186800 0.75851200 1.0 N N41 1 0.53679300 0.38813200 0.24148800 1.0 N N42 1 0.96320700 0.61186800 0.74148800 1.0 N N43 1 0.46320700 0.88813200 0.25851200 1.0 N N44 1 0.24148800 0.96320700 0.88813200 1.0 N N45 1 0.75851200 0.46320700 0.61186800 1.0 N N46 1 0.25851200 0.03679300 0.38813200 1.0 N N47 1 0.74148800 0.53679300 0.11186800 1.0 N N48 1 0.88813200 0.24148800 0.96320700 1.0 N N49 1 0.61186800 0.75851200 0.46320700 1.0 N N50 1 0.38813200 0.25851200 0.03679300 1.0 N N51 1 0.11186800 0.74148800 0.53679300 1.0 N N52 1 0.96320700 0.88813200 0.24148800 1.0 N N53 1 0.46320700 0.61186800 0.75851200 1.0 N N54 1 0.03679300 0.38813200 0.25851200 1.0 N N55 1 0.53679300 0.11186800 0.74148800 1.0 N N56 1 0.82086100 0.06757900 0.26729400 1.0 N N57 1 0.17913900 0.56757900 0.23270600 1.0 N N58 1 0.67913900 0.93242100 0.76729400 1.0 N N59 1 0.32086100 0.43242100 0.73270600 1.0 N N60 1 0.26729400 0.82086100 0.06757900 1.0 N N61 1 0.23270600 0.17913900 0.56757900 1.0 N N62 1 0.76729400 0.67913900 0.93242100 1.0 N N63 1 0.73270600 0.32086100 0.43242100 1.0 N N64 1 0.06757900 0.26729400 0.82086100 1.0 N N65 1 0.56757900 0.23270600 0.17913900 1.0 N N66 1 0.93242100 0.76729400 0.67913900 1.0 N N67 1 0.43242100 0.73270600 0.32086100 1.0 N N68 1 0.17913900 0.93242100 0.73270600 1.0 N N69 1 0.82086100 0.43242100 0.76729400 1.0 N N70 1 0.32086100 0.06757900 0.23270600 1.0 N N71 1 0.67913900 0.56757900 0.26729400 1.0 N N72 1 0.73270600 0.17913900 0.93242100 1.0 N N73 1 0.76729400 0.82086100 0.43242100 1.0 N N74 1 0.23270600 0.32086100 0.06757900 1.0 N N75 1 0.26729400 0.67913900 0.56757900 1.0 N N76 1 0.93242100 0.73270600 0.17913900 1.0 N N77 1 0.43242100 0.76729400 0.82086100 1.0 N N78 1 0.06757900 0.23270600 0.32086100 1.0 N N79 1 0.56757900 0.26729400 0.67913900 1.0 N N80 1 0.64479800 0.02186800 0.25243700 1.0 N N81 1 0.35520200 0.52186800 0.24756300 1.0 N N82 1 0.85520200 0.97813200 0.75243700 1.0 N N83 1 0.14479800 0.47813200 0.74756300 1.0 N N84 1 0.25243700 0.64479800 0.02186800 1.0 N N85 1 0.24756300 0.35520200 0.52186800 1.0 N N86 1 0.75243700 0.85520200 0.97813200 1.0 N N87 1 0.74756300 0.14479800 0.47813200 1.0 N N88 1 0.02186800 0.25243700 0.64479800 1.0 N N89 1 0.52186800 0.24756300 0.35520200 1.0 N N90 1 0.97813200 0.75243700 0.85520200 1.0 N N91 1 0.47813200 0.74756300 0.14479800 1.0 N N92 1 0.35520200 0.97813200 0.74756300 1.0 N N93 1 0.64479800 0.47813200 0.75243700 1.0 N N94 1 0.14479800 0.02186800 0.24756300 1.0 N N95 1 0.85520200 0.52186800 0.25243700 1.0 N N96 1 0.74756300 0.35520200 0.97813200 1.0 N N97 1 0.75243700 0.64479800 0.47813200 1.0 N N98 1 0.24756300 0.14479800 0.02186800 1.0 N N99 1 0.25243700 0.85520200 0.52186800 1.0 N N100 1 0.97813200 0.74756300 0.35520200 1.0 N N101 1 0.47813200 0.75243700 0.64479800 1.0 N N102 1 0.02186800 0.24756300 0.14479800 1.0 N N103 1 0.52186800 0.25243700 0.85520200 1.0 F F104 1 0.87589300 0.05922600 0.92448300 1.0 F F105 1 0.12410700 0.55922600 0.57551700 1.0 F F106 1 0.62410700 0.94077400 0.42448300 1.0 F F107 1 0.37589300 0.44077400 0.07551700 1.0 F F108 1 0.92448300 0.87589300 0.05922600 1.0 F F109 1 0.57551700 0.12410700 0.55922600 1.0 F F110 1 0.42448300 0.62410700 0.94077400 1.0 F F111 1 0.07551700 0.37589300 0.44077400 1.0 F F112 1 0.05922600 0.92448300 0.87589300 1.0 F F113 1 0.55922600 0.57551700 0.12410700 1.0 F F114 1 0.94077400 0.42448300 0.62410700 1.0 F F115 1 0.44077400 0.07551700 0.37589300 1.0 F F116 1 0.12410700 0.94077400 0.07551700 1.0 F F117 1 0.87589300 0.44077400 0.42448300 1.0 F F118 1 0.37589300 0.05922600 0.57551700 1.0 F F119 1 0.62410700 0.55922600 0.92448300 1.0 F F120 1 0.07551700 0.12410700 0.94077400 1.0 F F121 1 0.42448300 0.87589300 0.44077400 1.0 F F122 1 0.57551700 0.37589300 0.05922600 1.0 F F123 1 0.92448300 0.62410700 0.55922600 1.0 F F124 1 0.94077400 0.07551700 0.12410700 1.0 F F125 1 0.44077400 0.42448300 0.87589300 1.0 F F126 1 0.05922600 0.57551700 0.37589300 1.0 F F127 1 0.55922600 0.92448300 0.62410700 1.0 F F128 1 0.47022400 0.94143500 0.14139900 1.0 F F129 1 0.52977600 0.44143500 0.35860100 1.0 F F130 1 0.02977600 0.05856500 0.64139900 1.0 F F131 1 0.97022400 0.55856500 0.85860100 1.0 F F132 1 0.14139900 0.47022400 0.94143500 1.0 F F133 1 0.35860100 0.52977600 0.44143500 1.0 F F134 1 0.64139900 0.02977600 0.05856500 1.0 F F135 1 0.85860100 0.97022400 0.55856500 1.0 F F136 1 0.94143500 0.14139900 0.47022400 1.0 F F137 1 0.44143500 0.35860100 0.52977600 1.0 F F138 1 0.05856500 0.64139900 0.02977600 1.0 F F139 1 0.55856500 0.85860100 0.97022400 1.0 F F140 1 0.52977600 0.05856500 0.85860100 1.0 F F141 1 0.47022400 0.55856500 0.64139900 1.0 F F142 1 0.97022400 0.94143500 0.35860100 1.0 F F143 1 0.02977600 0.44143500 0.14139900 1.0 F F144 1 0.85860100 0.52977600 0.05856500 1.0 F F145 1 0.64139900 0.47022400 0.55856500 1.0 F F146 1 0.35860100 0.97022400 0.94143500 1.0 F F147 1 0.14139900 0.02977600 0.44143500 1.0 F F148 1 0.05856500 0.85860100 0.52977600 1.0 F F149 1 0.55856500 0.64139900 0.47022400 1.0 F F150 1 0.94143500 0.35860100 0.97022400 1.0 F F151 1 0.44143500 0.14139900 0.02977600 1.0