# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.48283098 _cell_length_b 16.48283098 _cell_length_c 9.15810600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 101.42251090 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr32 N64' _cell_volume 2438.82741718 _cell_formula_units_Z 32 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 0.11758800 0.88241200 0.93802300 1.0 Cr Cr1 1 0.88241200 0.11758800 0.06197700 1.0 Cr Cr2 1 0.11758800 0.88241200 0.56197700 1.0 Cr Cr3 1 0.88241200 0.11758800 0.43802300 1.0 Cr Cr4 1 0.24385400 0.75614600 0.06424900 1.0 Cr Cr5 1 0.75614600 0.24385400 0.93575100 1.0 Cr Cr6 1 0.24385400 0.75614600 0.43575100 1.0 Cr Cr7 1 0.75614600 0.24385400 0.56424900 1.0 Cr Cr8 1 0.12934900 0.58564400 0.93605300 1.0 Cr Cr9 1 0.58564400 0.12934900 0.06394700 1.0 Cr Cr10 1 0.12934900 0.58564400 0.56394700 1.0 Cr Cr11 1 0.58564400 0.12934900 0.43605300 1.0 Cr Cr12 1 0.87065100 0.41435600 0.06394700 1.0 Cr Cr13 1 0.41435600 0.87065100 0.93605300 1.0 Cr Cr14 1 0.87065100 0.41435600 0.43605300 1.0 Cr Cr15 1 0.41435600 0.87065100 0.56394700 1.0 Cr Cr16 1 0.93211000 0.60520100 0.93632000 1.0 Cr Cr17 1 0.60520100 0.93211000 0.06368000 1.0 Cr Cr18 1 0.93211000 0.60520100 0.56368000 1.0 Cr Cr19 1 0.60520100 0.93211000 0.43632000 1.0 Cr Cr20 1 0.06789000 0.39479900 0.06368000 1.0 Cr Cr21 1 0.39479900 0.06789000 0.93632000 1.0 Cr Cr22 1 0.06789000 0.39479900 0.43632000 1.0 Cr Cr23 1 0.39479900 0.06789000 0.56368000 1.0 Cr Cr24 1 0.92251400 0.79472300 0.06124100 1.0 Cr Cr25 1 0.79472300 0.92251400 0.93875900 1.0 Cr Cr26 1 0.92251400 0.79472300 0.43875900 1.0 Cr Cr27 1 0.79472300 0.92251400 0.56124100 1.0 Cr Cr28 1 0.07748600 0.20527700 0.93875900 1.0 Cr Cr29 1 0.20527700 0.07748600 0.06124100 1.0 Cr Cr30 1 0.07748600 0.20527700 0.56124100 1.0 Cr Cr31 1 0.20527700 0.07748600 0.43875900 1.0 N N32 1 0.11069100 0.88930900 0.75000000 1.0 N N33 1 0.88930900 0.11069100 0.25000000 1.0 N N34 1 0.18337200 0.81662800 0.97863200 1.0 N N35 1 0.81662800 0.18337200 0.02136800 1.0 N N36 1 0.18337200 0.81662800 0.52136800 1.0 N N37 1 0.81662800 0.18337200 0.47863200 1.0 N N38 1 0.02025800 0.84425000 0.00774400 1.0 N N39 1 0.84425000 0.02025800 0.99225600 1.0 N N40 1 0.02025800 0.84425000 0.49225600 1.0 N N41 1 0.84425000 0.02025800 0.50774400 1.0 N N42 1 0.97974200 0.15575000 0.99225600 1.0 N N43 1 0.15575000 0.97974200 0.00774400 1.0 N N44 1 0.97974200 0.15575000 0.50774400 1.0 N N45 1 0.15575000 0.97974200 0.49225600 1.0 N N46 1 0.23386200 0.76613800 0.25000000 1.0 N N47 1 0.76613800 0.23386200 0.75000000 1.0 N N48 1 0.20924700 0.65320400 0.02036300 1.0 N N49 1 0.65320400 0.20924700 0.97963700 1.0 N N50 1 0.20924700 0.65320400 0.47963700 1.0 N N51 1 0.65320400 0.20924700 0.52036300 1.0 N N52 1 0.79075300 0.34679600 0.97963700 1.0 N N53 1 0.34679600 0.79075300 0.02036300 1.0 N N54 1 0.79075300 0.34679600 0.52036300 1.0 N N55 1 0.34679600 0.79075300 0.47963700 1.0 N N56 1 0.14205100 0.59261800 0.75000000 1.0 N N57 1 0.59261800 0.14205100 0.25000000 1.0 N N58 1 0.85794900 0.40738200 0.25000000 1.0 N N59 1 0.40738200 0.85794900 0.75000000 1.0 N N60 1 0.03461900 0.60967500 0.97633300 1.0 N N61 1 0.60967500 0.03461900 0.02366700 1.0 N N62 1 0.03461900 0.60967500 0.52366700 1.0 N N63 1 0.60967500 0.03461900 0.47633300 1.0 N N64 1 0.96538100 0.39032500 0.02366700 1.0 N N65 1 0.39032500 0.96538100 0.97633300 1.0 N N66 1 0.96538100 0.39032500 0.47633300 1.0 N N67 1 0.39032500 0.96538100 0.52366700 1.0 N N68 1 0.87568100 0.51630400 0.01383100 1.0 N N69 1 0.51630400 0.87568100 0.98616900 1.0 N N70 1 0.87568100 0.51630400 0.48616900 1.0 N N71 1 0.51630400 0.87568100 0.51383100 1.0 N N72 1 0.12431900 0.48369600 0.98616900 1.0 N N73 1 0.48369600 0.12431900 0.01383100 1.0 N N74 1 0.12431900 0.48369600 0.51383100 1.0 N N75 1 0.48369600 0.12431900 0.48616900 1.0 N N76 1 0.92130300 0.59675400 0.75000000 1.0 N N77 1 0.59675400 0.92130300 0.25000000 1.0 N N78 1 0.07869700 0.40324600 0.25000000 1.0 N N79 1 0.40324600 0.07869700 0.75000000 1.0 N N80 1 0.90222100 0.69600700 0.99174800 1.0 N N81 1 0.69600700 0.90222100 0.00825200 1.0 N N82 1 0.90222100 0.69600700 0.50825200 1.0 N N83 1 0.69600700 0.90222100 0.49174800 1.0 N N84 1 0.09777900 0.30399300 0.00825200 1.0 N N85 1 0.30399300 0.09777900 0.99174800 1.0 N N86 1 0.09777900 0.30399300 0.49174800 1.0 N N87 1 0.30399300 0.09777900 0.50825200 1.0 N N88 1 0.91934700 0.79000100 0.25000000 1.0 N N89 1 0.79000100 0.91934700 0.75000000 1.0 N N90 1 0.08065300 0.20999900 0.75000000 1.0 N N91 1 0.20999900 0.08065300 0.25000000 1.0 N N92 1 0.85260700 0.85260700 0.00000000 1.0 N N93 1 0.85260700 0.85260700 0.50000000 1.0 N N94 1 0.14739300 0.14739300 0.00000000 1.0 N N95 1 0.14739300 0.14739300 0.50000000 1.0