# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08154900 _cell_length_b 15.31568300 _cell_length_c 20.35964600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr36 N72' _cell_volume 2520.00383585 _cell_formula_units_Z 36 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 Cr Cr0 1 0.50000000 0.50000000 0.34492700 1.0 Cr Cr1 1 0.00000000 0.00000000 0.15507300 1.0 Cr Cr2 1 0.50000000 0.50000000 0.65507300 1.0 Cr Cr3 1 0.00000000 0.00000000 0.84492700 1.0 Cr Cr4 1 0.20854500 0.49947500 0.22569900 1.0 Cr Cr5 1 0.79145500 0.50052500 0.22569900 1.0 Cr Cr6 1 0.70854500 0.00052500 0.27430100 1.0 Cr Cr7 1 0.29145500 0.99947500 0.27430100 1.0 Cr Cr8 1 0.79145500 0.50052500 0.77430100 1.0 Cr Cr9 1 0.20854500 0.49947500 0.77430100 1.0 Cr Cr10 1 0.29145500 0.99947500 0.72569900 1.0 Cr Cr11 1 0.70854500 0.00052500 0.72569900 1.0 Cr Cr12 1 0.48785700 0.70005700 0.41654400 1.0 Cr Cr13 1 0.51214300 0.29994300 0.41654400 1.0 Cr Cr14 1 0.98785700 0.79994300 0.08345600 1.0 Cr Cr15 1 0.01214300 0.20005700 0.08345600 1.0 Cr Cr16 1 0.51214300 0.29994300 0.58345600 1.0 Cr Cr17 1 0.48785700 0.70005700 0.58345600 1.0 Cr Cr18 1 0.01214300 0.20005700 0.91654400 1.0 Cr Cr19 1 0.98785700 0.79994300 0.91654400 1.0 Cr Cr20 1 0.27772400 0.69948700 0.16916500 1.0 Cr Cr21 1 0.72227600 0.30051300 0.16916500 1.0 Cr Cr22 1 0.77772400 0.80051300 0.33083500 1.0 Cr Cr23 1 0.22227600 0.19948700 0.33083500 1.0 Cr Cr24 1 0.72227600 0.30051300 0.83083500 1.0 Cr Cr25 1 0.27772400 0.69948700 0.83083500 1.0 Cr Cr26 1 0.22227600 0.19948700 0.66916500 1.0 Cr Cr27 1 0.77772400 0.80051300 0.66916500 1.0 Cr Cr28 1 0.30661800 0.29385700 0.81895100 1.0 Cr Cr29 1 0.69338200 0.70614300 0.81895100 1.0 Cr Cr30 1 0.80661800 0.20614300 0.68104900 1.0 Cr Cr31 1 0.19338200 0.79385700 0.68104900 1.0 Cr Cr32 1 0.69338200 0.70614300 0.18104900 1.0 Cr Cr33 1 0.30661800 0.29385700 0.18104900 1.0 Cr Cr34 1 0.19338200 0.79385700 0.31895100 1.0 Cr Cr35 1 0.80661800 0.20614300 0.31895100 1.0 N N36 1 0.00000000 0.50000000 0.24463500 1.0 N N37 1 0.50000000 0.00000000 0.25536500 1.0 N N38 1 0.00000000 0.50000000 0.75536500 1.0 N N39 1 0.50000000 0.00000000 0.74463500 1.0 N N40 1 0.32426100 0.50636200 0.29744700 1.0 N N41 1 0.67573900 0.49363800 0.29744700 1.0 N N42 1 0.82426100 0.99363800 0.20255300 1.0 N N43 1 0.17573900 0.00636200 0.20255300 1.0 N N44 1 0.67573900 0.49363800 0.70255300 1.0 N N45 1 0.32426100 0.50636200 0.70255300 1.0 N N46 1 0.17573900 0.00636200 0.79744700 1.0 N N47 1 0.82426100 0.99363800 0.79744700 1.0 N N48 1 0.50845800 0.59255700 0.39389100 1.0 N N49 1 0.49154200 0.40744300 0.39389100 1.0 N N50 1 0.00845800 0.90744300 0.10610900 1.0 N N51 1 0.99154200 0.09255700 0.10610900 1.0 N N52 1 0.49154200 0.40744300 0.60610900 1.0 N N53 1 0.50845800 0.59255700 0.60610900 1.0 N N54 1 0.99154200 0.09255700 0.89389100 1.0 N N55 1 0.00845800 0.90744300 0.89389100 1.0 N N56 1 0.51416500 0.28311900 0.84081400 1.0 N N57 1 0.48583500 0.71688100 0.84081400 1.0 N N58 1 0.01416500 0.21688100 0.65918600 1.0 N N59 1 0.98583500 0.78311900 0.65918600 1.0 N N60 1 0.48583500 0.71688100 0.15918600 1.0 N N61 1 0.51416500 0.28311900 0.15918600 1.0 N N62 1 0.98583500 0.78311900 0.34081400 1.0 N N63 1 0.01416500 0.21688100 0.34081400 1.0 N N64 1 0.45708900 0.70769800 0.50000000 1.0 N N65 1 0.54291100 0.29230200 0.50000000 1.0 N N66 1 0.95708900 0.79230200 0.00000000 1.0 N N67 1 0.04291100 0.20769800 0.00000000 1.0 N N68 1 0.22004000 0.74783900 0.24169900 1.0 N N69 1 0.77996000 0.25216100 0.24169900 1.0 N N70 1 0.72004000 0.75216100 0.25830100 1.0 N N71 1 0.27996000 0.24783900 0.25830100 1.0 N N72 1 0.77996000 0.25216100 0.75830100 1.0 N N73 1 0.22004000 0.74783900 0.75830100 1.0 N N74 1 0.27996000 0.24783900 0.74169900 1.0 N N75 1 0.72004000 0.75216100 0.74169900 1.0 N N76 1 0.31840900 0.74468200 0.37554100 1.0 N N77 1 0.68159100 0.25531800 0.37554100 1.0 N N78 1 0.81840900 0.75531800 0.12445900 1.0 N N79 1 0.18159100 0.24468200 0.12445900 1.0 N N80 1 0.68159100 0.25531800 0.62445900 1.0 N N81 1 0.31840900 0.74468200 0.62445900 1.0 N N82 1 0.18159100 0.24468200 0.87554100 1.0 N N83 1 0.81840900 0.75531800 0.87554100 1.0 N N84 1 0.33642000 0.24215700 0.60444600 1.0 N N85 1 0.66358000 0.75784300 0.60444600 1.0 N N86 1 0.83642000 0.25784300 0.89555400 1.0 N N87 1 0.16358000 0.74215700 0.89555400 1.0 N N88 1 0.66358000 0.75784300 0.39555400 1.0 N N89 1 0.33642000 0.24215700 0.39555400 1.0 N N90 1 0.16358000 0.74215700 0.10444600 1.0 N N91 1 0.83642000 0.25784300 0.10444600 1.0 N N92 1 0.24576800 0.58681300 0.17494900 1.0 N N93 1 0.75423200 0.41318700 0.17494900 1.0 N N94 1 0.74576800 0.91318700 0.32505100 1.0 N N95 1 0.25423200 0.08681300 0.32505100 1.0 N N96 1 0.75423200 0.41318700 0.82505100 1.0 N N97 1 0.24576800 0.58681300 0.82505100 1.0 N N98 1 0.25423200 0.08681300 0.67494900 1.0 N N99 1 0.74576800 0.91318700 0.67494900 1.0 N N100 1 0.25471200 0.40273900 0.81454300 1.0 N N101 1 0.74528800 0.59726100 0.81454300 1.0 N N102 1 0.75471200 0.09726100 0.68545700 1.0 N N103 1 0.24528800 0.90273900 0.68545700 1.0 N N104 1 0.74528800 0.59726100 0.18545700 1.0 N N105 1 0.25471200 0.40273900 0.18545700 1.0 N N106 1 0.24528800 0.90273900 0.31454300 1.0 N N107 1 0.75471200 0.09726100 0.31454300 1.0