# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.58525865 _cell_length_b 12.18509346 _cell_length_c 12.02585929 _cell_angle_alpha 68.26297168 _cell_angle_beta 56.42441601 _cell_angle_gamma 55.31261231 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr18 N36' _cell_volume 1359.30853977 _cell_formula_units_Z 18 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 0.29712800 0.32300700 0.45254000 1.0 Cr Cr1 1 0.92732500 0.45254000 0.32300700 1.0 Cr Cr2 1 0.32300700 0.29712800 0.92732500 1.0 Cr Cr3 1 0.45254000 0.92732500 0.29712800 1.0 Cr Cr4 1 0.70287200 0.67699300 0.54746000 1.0 Cr Cr5 1 0.07267500 0.54746000 0.67699300 1.0 Cr Cr6 1 0.67699300 0.70287200 0.07267500 1.0 Cr Cr7 1 0.54746000 0.07267500 0.70287200 1.0 Cr Cr8 1 0.60849000 0.21396800 0.39151000 1.0 Cr Cr9 1 0.78603200 0.39151000 0.21396800 1.0 Cr Cr10 1 0.21396800 0.60849000 0.78603200 1.0 Cr Cr11 1 0.39151000 0.78603200 0.60849000 1.0 Cr Cr12 1 0.29524000 0.07378400 0.70476000 1.0 Cr Cr13 1 0.92621600 0.70476000 0.07378400 1.0 Cr Cr14 1 0.07378400 0.29524000 0.92621600 1.0 Cr Cr15 1 0.70476000 0.92621600 0.29524000 1.0 Cr Cr16 1 0.25000000 0.25000000 0.25000000 1.0 Cr Cr17 1 0.75000000 0.75000000 0.75000000 1.0 N N18 1 0.28708500 0.31562800 0.31861900 1.0 N N19 1 0.07866800 0.31861900 0.31562800 1.0 N N20 1 0.31562800 0.28708500 0.07866800 1.0 N N21 1 0.31861900 0.07866800 0.28708500 1.0 N N22 1 0.71291500 0.68437200 0.68138100 1.0 N N23 1 0.92133200 0.68138100 0.68437200 1.0 N N24 1 0.68437200 0.71291500 0.92133200 1.0 N N25 1 0.68138100 0.92133200 0.71291500 1.0 N N26 1 0.29273000 0.18580700 0.56574400 1.0 N N27 1 0.95572000 0.56574400 0.18580700 1.0 N N28 1 0.18580700 0.29273000 0.95572000 1.0 N N29 1 0.56574400 0.95572000 0.29273000 1.0 N N30 1 0.70727000 0.81419300 0.43425600 1.0 N N31 1 0.04428000 0.43425600 0.81419300 1.0 N N32 1 0.81419300 0.70727000 0.04428000 1.0 N N33 1 0.43425600 0.04428000 0.70727000 1.0 N N34 1 0.44944400 0.30985700 0.40222200 1.0 N N35 1 0.83847600 0.40222200 0.30985700 1.0 N N36 1 0.30985700 0.44944400 0.83847600 1.0 N N37 1 0.40222200 0.83847600 0.44944400 1.0 N N38 1 0.55055600 0.69014300 0.59777800 1.0 N N39 1 0.16152400 0.59777800 0.69014300 1.0 N N40 1 0.69014300 0.55055600 0.16152400 1.0 N N41 1 0.59777800 0.16152400 0.55055600 1.0 N N42 1 0.16713100 0.46784200 0.53215800 1.0 N N43 1 0.83286900 0.53215800 0.46784200 1.0 N N44 1 0.46784200 0.16713100 0.83286900 1.0 N N45 1 0.53215800 0.83286900 0.16713100 1.0 N N46 1 0.31271100 0.92741800 0.68728900 1.0 N N47 1 0.07258200 0.68728900 0.92741800 1.0 N N48 1 0.92741800 0.31271100 0.07258200 1.0 N N49 1 0.68728900 0.07258200 0.31271100 1.0 N N50 1 0.69469800 0.30530200 0.30530200 1.0 N N51 1 0.30530200 0.69469800 0.69469800 1.0 N N52 1 0.15362700 0.15362700 0.84637300 1.0 N N53 1 0.84637300 0.84637300 0.15362700 1.0