# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.34302925 _cell_length_b 14.34302925 _cell_length_c 14.34302925 _cell_angle_alpha 143.09563217 _cell_angle_beta 113.70398731 _cell_angle_gamma 78.36651448 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr24 N48' _cell_volume 1583.36066684 _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 0.25976200 0.32683600 0.56707400 1.0 Cr Cr1 1 0.74023800 0.30731200 0.06707400 1.0 Cr Cr2 1 0.74023800 0.67316400 0.43292600 1.0 Cr Cr3 1 0.25976200 0.69268800 0.93292600 1.0 Cr Cr4 1 0.11869100 0.05571600 0.43702500 1.0 Cr Cr5 1 0.88130900 0.31833400 0.93702500 1.0 Cr Cr6 1 0.88130900 0.94428400 0.56297500 1.0 Cr Cr7 1 0.11869100 0.68166600 0.06297500 1.0 Cr Cr8 1 0.26843500 0.13314000 0.75673100 1.0 Cr Cr9 1 0.73156500 0.48829700 0.86470500 1.0 Cr Cr10 1 0.12359100 0.48829700 0.25673100 1.0 Cr Cr11 1 0.87640900 0.13314000 0.36470500 1.0 Cr Cr12 1 0.73156500 0.86686000 0.24326900 1.0 Cr Cr13 1 0.26843500 0.51170300 0.13529500 1.0 Cr Cr14 1 0.87640900 0.51170300 0.74326900 1.0 Cr Cr15 1 0.12359100 0.86686000 0.63529500 1.0 Cr Cr16 1 0.49359900 0.24599300 0.61969000 1.0 Cr Cr17 1 0.50640100 0.12609100 0.75239300 1.0 Cr Cr18 1 0.87369800 0.12609100 0.11969000 1.0 Cr Cr19 1 0.12630200 0.24599300 0.25239300 1.0 Cr Cr20 1 0.50640100 0.75400700 0.38031000 1.0 Cr Cr21 1 0.49359900 0.87390900 0.24760700 1.0 Cr Cr22 1 0.12630200 0.87390900 0.88031000 1.0 Cr Cr23 1 0.87369800 0.75400700 0.74760700 1.0 N N24 1 0.23994200 0.48994200 0.75000000 1.0 N N25 1 0.76005800 0.51005800 0.25000000 1.0 N N26 1 0.10398900 0.85398900 0.25000000 1.0 N N27 1 0.89601100 0.14601100 0.75000000 1.0 N N28 1 0.28548900 0.32670500 0.95878300 1.0 N N29 1 0.71451100 0.67329500 0.04121700 1.0 N N30 1 0.13207800 0.67329500 0.45878300 1.0 N N31 1 0.86792200 0.32670500 0.54121700 1.0 N N32 1 0.46985400 0.05804200 0.41181200 1.0 N N33 1 0.53014600 0.94195800 0.58818800 1.0 N N34 1 0.85377000 0.94195800 0.91181200 1.0 N N35 1 0.14623000 0.05804200 0.08818800 1.0 N N36 1 0.19511900 0.15434100 0.45922200 1.0 N N37 1 0.80488100 0.26410400 0.95922200 1.0 N N38 1 0.80488100 0.84565900 0.54077800 1.0 N N39 1 0.19511900 0.73589600 0.04077800 1.0 N N40 1 0.18153400 0.10479900 0.60786200 1.0 N N41 1 0.81846600 0.42632800 0.92326500 1.0 N N42 1 0.00306300 0.42632800 0.10786200 1.0 N N43 1 0.99693700 0.10479900 0.42326500 1.0 N N44 1 0.81846600 0.89520100 0.39213800 1.0 N N45 1 0.18153400 0.57367200 0.07673500 1.0 N N46 1 0.99693700 0.57367200 0.89213800 1.0 N N47 1 0.00306300 0.89520100 0.57673500 1.0 N N48 1 0.21549100 0.00000000 0.71549100 1.0 N N49 1 0.78450900 0.50000000 0.78450900 1.0 N N50 1 0.21549100 0.50000000 0.21549100 1.0 N N51 1 0.78450900 0.00000000 0.28450900 1.0 N N52 1 0.38896500 0.10464600 0.74560900 1.0 N N53 1 0.61103500 0.35664500 0.71568100 1.0 N N54 1 0.14096300 0.35664500 0.24560900 1.0 N N55 1 0.85903700 0.10464600 0.21568100 1.0 N N56 1 0.61103500 0.89535400 0.25439100 1.0 N N57 1 0.38896500 0.64335500 0.28431900 1.0 N N58 1 0.85903700 0.64335500 0.75439100 1.0 N N59 1 0.14096300 0.89535400 0.78431900 1.0 N N60 1 0.50000000 0.22346200 0.72346200 1.0 N N61 1 0.00000000 0.22346200 0.22346200 1.0 N N62 1 0.50000000 0.77653800 0.27653800 1.0 N N63 1 0.00000000 0.77653800 0.77653800 1.0 N N64 1 0.39211700 0.33721800 0.62595900 1.0 N N65 1 0.60788300 0.23384200 0.94510100 1.0 N N66 1 0.78874100 0.23384200 0.12595900 1.0 N N67 1 0.21125900 0.33721800 0.44510100 1.0 N N68 1 0.60788300 0.66278200 0.37404100 1.0 N N69 1 0.39211700 0.76615800 0.05489900 1.0 N N70 1 0.21125900 0.76615800 0.87404100 1.0 N N71 1 0.78874100 0.66278200 0.55489900 1.0