# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17002323 _cell_length_b 17.11654779 _cell_length_c 17.11654791 _cell_angle_alpha 75.07850154 _cell_angle_beta 74.46243385 _cell_angle_gamma 74.46243529 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr32 N64' _cell_volume 2443.38753453 _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 0.93019456 0.88229256 0.88229256 1.0 Cr Cr1 1 0.06980544 0.11770744 0.11770744 1.0 Cr Cr2 1 0.69477969 0.11770744 0.11770744 1.0 Cr Cr3 1 0.30522031 0.88229256 0.88229256 1.0 Cr Cr4 1 0.92962877 0.75617294 0.75617294 1.0 Cr Cr5 1 0.07037123 0.24382706 0.24382706 1.0 Cr Cr6 1 0.44197465 0.24382706 0.24382706 1.0 Cr Cr7 1 0.55802535 0.75617294 0.75617294 1.0 Cr Cr8 1 0.08560400 0.58590947 0.87037796 1.0 Cr Cr9 1 0.91439600 0.12962204 0.41409053 1.0 Cr Cr10 1 0.54189143 0.41409053 0.12962204 1.0 Cr Cr11 1 0.45810857 0.87037796 0.58590947 1.0 Cr Cr12 1 0.91439600 0.41409053 0.12962204 1.0 Cr Cr13 1 0.08560400 0.87037796 0.58590947 1.0 Cr Cr14 1 0.45810857 0.58590947 0.87037796 1.0 Cr Cr15 1 0.54189143 0.12962204 0.41409053 1.0 Cr Cr16 1 0.97754584 0.60453665 0.06751103 1.0 Cr Cr17 1 0.02245416 0.93248897 0.39546335 1.0 Cr Cr18 1 0.64959351 0.39546335 0.93248897 1.0 Cr Cr19 1 0.35040649 0.06751103 0.60453665 1.0 Cr Cr20 1 0.02245416 0.39546335 0.93248897 1.0 Cr Cr21 1 0.97754584 0.06751103 0.60453665 1.0 Cr Cr22 1 0.35040649 0.60453665 0.06751103 1.0 Cr Cr23 1 0.64959351 0.93248897 0.39546335 1.0 Cr Cr24 1 0.75252837 0.79303362 0.07699150 1.0 Cr Cr25 1 0.24747163 0.92300850 0.20696638 1.0 Cr Cr26 1 0.62255348 0.20696638 0.92300850 1.0 Cr Cr27 1 0.37744652 0.07699150 0.79303362 1.0 Cr Cr28 1 0.24747163 0.20696638 0.92300850 1.0 Cr Cr29 1 0.75252837 0.07699150 0.79303362 1.0 Cr Cr30 1 0.37744652 0.79303362 0.07699150 1.0 Cr Cr31 1 0.62255348 0.92300850 0.20696638 1.0 N N32 1 0.10988999 0.89011001 0.89011001 1.0 N N33 1 0.89011001 0.10988999 0.10988999 1.0 N N34 1 0.95706016 0.81626966 0.81626966 1.0 N N35 1 0.04293984 0.18373034 0.18373034 1.0 N N36 1 0.58959948 0.18373034 0.18373034 1.0 N N37 1 0.41040052 0.81626966 0.81626966 1.0 N N38 1 0.83045930 0.84311862 0.97937305 1.0 N N39 1 0.16954070 0.02062695 0.15688138 1.0 N N40 1 0.65295097 0.15688138 0.02062695 1.0 N N41 1 0.34704903 0.97937305 0.84311862 1.0 N N42 1 0.16954070 0.15688138 0.02062695 1.0 N N43 1 0.83045930 0.97937305 0.84311862 1.0 N N44 1 0.34704903 0.84311862 0.97937305 1.0 N N45 1 0.65295097 0.02062695 0.15688138 1.0 N N46 1 0.73365808 0.76634192 0.76634192 1.0 N N47 1 0.26634192 0.23365808 0.23365808 1.0 N N48 1 0.00854717 0.65303883 0.78939706 1.0 N N49 1 0.99145283 0.21060294 0.34696117 1.0 N N50 1 0.45098306 0.34696117 0.21060294 1.0 N N51 1 0.54901694 0.78939706 0.65303883 1.0 N N52 1 0.99145283 0.34696117 0.21060294 1.0 N N53 1 0.00854717 0.78939706 0.65303883 1.0 N N54 1 0.54901694 0.65303883 0.78939706 1.0 N N55 1 0.45098306 0.21060294 0.34696117 1.0 N N56 1 0.27355154 0.59440499 0.85849193 1.0 N N57 1 0.72644846 0.14150807 0.40559501 1.0 N N58 1 0.72644846 0.40559501 0.14150807 1.0 N N59 1 0.27355154 0.85849193 0.59440499 1.0 N N60 1 0.98303959 0.60973474 0.96475548 1.0 N N61 1 0.01696041 0.03524452 0.39026526 1.0 N N62 1 0.55752981 0.39026526 0.03524452 1.0 N N63 1 0.44247019 0.96475548 0.60973474 1.0 N N64 1 0.01696041 0.39026526 0.03524452 1.0 N N65 1 0.98303959 0.96475548 0.60973474 1.0 N N66 1 0.44247019 0.60973474 0.96475548 1.0 N N67 1 0.55752981 0.03524452 0.39026526 1.0 N N68 1 0.91361169 0.51628904 0.12484862 1.0 N N69 1 0.08638831 0.87515138 0.48371096 1.0 N N70 1 0.55474935 0.48371096 0.87515138 1.0 N N71 1 0.44525065 0.12484862 0.51628904 1.0 N N72 1 0.08638831 0.48371096 0.87515138 1.0 N N73 1 0.91361169 0.12484862 0.51628904 1.0 N N74 1 0.44525065 0.51628904 0.12484862 1.0 N N75 1 0.55474935 0.87515138 0.48371096 1.0 N N76 1 0.16412894 0.59505491 0.07668722 1.0 N N77 1 0.83587106 0.92331278 0.40494509 1.0 N N78 1 0.83587106 0.40494509 0.92331278 1.0 N N79 1 0.16412894 0.07668722 0.59505491 1.0 N N80 1 0.86607505 0.69502326 0.09836703 1.0 N N81 1 0.13392495 0.90163297 0.30497674 1.0 N N82 1 0.65946534 0.30497674 0.90163297 1.0 N N83 1 0.34053466 0.09836703 0.69502326 1.0 N N84 1 0.13392495 0.30497674 0.90163297 1.0 N N85 1 0.86607505 0.09836703 0.69502326 1.0 N N86 1 0.34053466 0.69502326 0.09836703 1.0 N N87 1 0.65946534 0.90163297 0.30497674 1.0 N N88 1 0.56905746 0.78425189 0.07763319 1.0 N N89 1 0.43094254 0.92236681 0.21574811 1.0 N N90 1 0.43094254 0.21574811 0.92236681 1.0 N N91 1 0.56905746 0.07763319 0.78425189 1.0 N N92 1 0.73902470 0.85172421 0.14827579 1.0 N N93 1 0.26097530 0.85172421 0.14827579 1.0 N N94 1 0.73902470 0.14827579 0.85172421 1.0 N N95 1 0.26097530 0.14827579 0.85172421 1.0