# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.71966064 _cell_length_b 13.71966064 _cell_length_c 9.17678600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.08348479 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr24 N48' _cell_volume 1632.40907378 _cell_formula_units_Z 24 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 0.77351600 0.22648400 0.43684000 1.0 Cr Cr1 1 0.22648400 0.77351600 0.56316000 1.0 Cr Cr2 1 0.77351600 0.22648400 0.06316000 1.0 Cr Cr3 1 0.22648400 0.77351600 0.93684000 1.0 Cr Cr4 1 0.62293000 0.37707000 0.43626500 1.0 Cr Cr5 1 0.37707000 0.62293000 0.56373500 1.0 Cr Cr6 1 0.62293000 0.37707000 0.06373500 1.0 Cr Cr7 1 0.37707000 0.62293000 0.93626500 1.0 Cr Cr8 1 0.38212300 0.23972100 0.56212600 1.0 Cr Cr9 1 0.23972100 0.38212300 0.43787400 1.0 Cr Cr10 1 0.38212300 0.23972100 0.93787400 1.0 Cr Cr11 1 0.23972100 0.38212300 0.06212600 1.0 Cr Cr12 1 0.61787700 0.76027900 0.43787400 1.0 Cr Cr13 1 0.76027900 0.61787700 0.56212600 1.0 Cr Cr14 1 0.61787700 0.76027900 0.06212600 1.0 Cr Cr15 1 0.76027900 0.61787700 0.93787400 1.0 Cr Cr16 1 0.61720700 0.99526800 0.56218800 1.0 Cr Cr17 1 0.99526800 0.61720700 0.43781200 1.0 Cr Cr18 1 0.61720700 0.99526800 0.93781200 1.0 Cr Cr19 1 0.99526800 0.61720700 0.06218800 1.0 Cr Cr20 1 0.38279300 0.00473200 0.43781200 1.0 Cr Cr21 1 0.00473200 0.38279300 0.56218800 1.0 Cr Cr22 1 0.38279300 0.00473200 0.06218800 1.0 Cr Cr23 1 0.00473200 0.38279300 0.93781200 1.0 N N24 1 0.78095100 0.21904900 0.25000000 1.0 N N25 1 0.21904900 0.78095100 0.75000000 1.0 N N26 1 0.61403400 0.38596600 0.25000000 1.0 N N27 1 0.38596600 0.61403400 0.75000000 1.0 N N28 1 0.38116200 0.23857400 0.75000000 1.0 N N29 1 0.23857400 0.38116200 0.25000000 1.0 N N30 1 0.61883800 0.76142600 0.25000000 1.0 N N31 1 0.76142600 0.61883800 0.75000000 1.0 N N32 1 0.61313200 0.99335300 0.75000000 1.0 N N33 1 0.99335300 0.61313200 0.25000000 1.0 N N34 1 0.38686800 0.00664700 0.25000000 1.0 N N35 1 0.00664700 0.38686800 0.75000000 1.0 N N36 1 0.69820100 0.30179900 0.47622900 1.0 N N37 1 0.30179900 0.69820100 0.52377100 1.0 N N38 1 0.69820100 0.30179900 0.02377100 1.0 N N39 1 0.30179900 0.69820100 0.97622900 1.0 N N40 1 0.50037600 0.32038400 0.50487600 1.0 N N41 1 0.32038400 0.50037600 0.49512400 1.0 N N42 1 0.50037600 0.32038400 0.99512400 1.0 N N43 1 0.32038400 0.50037600 0.00487600 1.0 N N44 1 0.49962400 0.67961600 0.49512400 1.0 N N45 1 0.67961600 0.49962400 0.50487600 1.0 N N46 1 0.49962400 0.67961600 0.00487600 1.0 N N47 1 0.67961600 0.49962400 0.99512400 1.0 N N48 1 0.28795600 0.28795600 0.50000000 1.0 N N49 1 0.28795600 0.28795600 0.00000000 1.0 N N50 1 0.71204400 0.71204400 0.50000000 1.0 N N51 1 0.71204400 0.71204400 0.00000000 1.0 N N52 1 0.36318300 0.11629700 0.49822800 1.0 N N53 1 0.11629700 0.36318300 0.50177200 1.0 N N54 1 0.36318300 0.11629700 0.00177200 1.0 N N55 1 0.11629700 0.36318300 0.99822800 1.0 N N56 1 0.63681700 0.88370300 0.50177200 1.0 N N57 1 0.88370300 0.63681700 0.49822800 1.0 N N58 1 0.63681700 0.88370300 0.99822800 1.0 N N59 1 0.88370300 0.63681700 0.00177200 1.0 N N60 1 0.50000000 0.00000000 0.50000000 1.0 N N61 1 0.00000000 0.50000000 0.50000000 1.0 N N62 1 0.50000000 0.00000000 0.00000000 1.0 N N63 1 0.00000000 0.50000000 0.00000000 1.0 N N64 1 0.71521300 0.10368900 0.50539300 1.0 N N65 1 0.10368900 0.71521300 0.49460700 1.0 N N66 1 0.71521300 0.10368900 0.99460700 1.0 N N67 1 0.10368900 0.71521300 0.00539300 1.0 N N68 1 0.28478700 0.89631100 0.49460700 1.0 N N69 1 0.89631100 0.28478700 0.50539300 1.0 N N70 1 0.28478700 0.89631100 0.00539300 1.0 N N71 1 0.89631100 0.28478700 0.99460700 1.0