# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17366595 _cell_length_b 16.97711700 _cell_length_c 16.97711731 _cell_angle_alpha 75.70191974 _cell_angle_beta 74.34935339 _cell_angle_gamma 74.34935715 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr32 N64' _cell_volume 2407.98169950 _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 0.81734586 0.11662257 0.11662257 1.0 Cr Cr1 1 0.18265414 0.88337743 0.88337743 1.0 Cr Cr2 1 0.55112754 0.88335324 0.88335324 1.0 Cr Cr3 1 0.44887246 0.11664676 0.11664676 1.0 Cr Cr4 1 0.68131430 0.25313888 0.25313888 1.0 Cr Cr5 1 0.31868570 0.74686112 0.74686112 1.0 Cr Cr6 1 0.68746127 0.74684494 0.74684494 1.0 Cr Cr7 1 0.31253873 0.25315506 0.25315506 1.0 Cr Cr8 1 0.78799962 0.42479880 0.12752589 1.0 Cr Cr9 1 0.21200038 0.87247411 0.57520120 1.0 Cr Cr10 1 0.84180325 0.87188478 0.57514005 1.0 Cr Cr11 1 0.15819675 0.42485995 0.12811522 1.0 Cr Cr12 1 0.21200038 0.57520120 0.87247411 1.0 Cr Cr13 1 0.78799962 0.12752589 0.42479880 1.0 Cr Cr14 1 0.15819675 0.12811522 0.42485995 1.0 Cr Cr15 1 0.84180325 0.57514005 0.87188478 1.0 Cr Cr16 1 0.76722490 0.39070479 0.94386663 1.0 Cr Cr17 1 0.23277510 0.05613337 0.60929521 1.0 Cr Cr18 1 0.60338136 0.05572865 0.60929938 1.0 Cr Cr19 1 0.39661864 0.39070062 0.94427135 1.0 Cr Cr20 1 0.23277510 0.60929521 0.05613337 1.0 Cr Cr21 1 0.76722490 0.94386663 0.39070479 1.0 Cr Cr22 1 0.39661864 0.94427135 0.39070062 1.0 Cr Cr23 1 0.60338136 0.60929938 0.05572865 1.0 Cr Cr24 1 0.99735879 0.20669455 0.92242676 1.0 Cr Cr25 1 0.00264121 0.07757324 0.79330545 1.0 Cr Cr26 1 0.62641880 0.07783058 0.79304842 1.0 Cr Cr27 1 0.37358120 0.20695158 0.92216942 1.0 Cr Cr28 1 0.00264121 0.79330545 0.07757324 1.0 Cr Cr29 1 0.99735879 0.92242676 0.20669455 1.0 Cr Cr30 1 0.37358120 0.92216942 0.20695158 1.0 Cr Cr31 1 0.62641880 0.79304842 0.07783058 1.0 N N32 1 0.64797535 0.10212095 0.10212095 1.0 N N33 1 0.35202465 0.89787905 0.89787905 1.0 N N34 1 0.76900706 0.18490586 0.18490586 1.0 N N35 1 0.23099294 0.81509414 0.81509414 1.0 N N36 1 0.63923876 0.81484274 0.81484274 1.0 N N37 1 0.36076124 0.18515726 0.18515726 1.0 N N38 1 0.92475644 0.15708893 0.02136601 1.0 N N39 1 0.07524356 0.97863399 0.84291107 1.0 N N40 1 0.60228531 0.97855318 0.84274529 1.0 N N41 1 0.39771469 0.15725471 0.02144682 1.0 N N42 1 0.07524356 0.84291107 0.97863399 1.0 N N43 1 0.92475644 0.02136601 0.15708893 1.0 N N44 1 0.39771469 0.02144682 0.15725471 1.0 N N45 1 0.60228531 0.84274529 0.97855318 1.0 N N46 1 0.48314255 0.26707657 0.26707657 1.0 N N47 1 0.51685745 0.73292343 0.73292343 1.0 N N48 1 0.73385909 0.34763077 0.21006403 1.0 N N49 1 0.26614091 0.78993597 0.65236923 1.0 N N50 1 0.79193993 0.78998841 0.65240704 1.0 N N51 1 0.20806007 0.34759296 0.21001159 1.0 N N52 1 0.26614091 0.65236923 0.78993597 1.0 N N53 1 0.73385909 0.21006403 0.34763077 1.0 N N54 1 0.20806007 0.21001159 0.34759296 1.0 N N55 1 0.79193993 0.65240704 0.78998841 1.0 N N56 1 0.96258414 0.44191179 0.13377284 1.0 N N57 1 0.03741586 0.86622716 0.55808821 1.0 N N58 1 0.03741586 0.55808821 0.86622716 1.0 N N59 1 0.96258414 0.13377284 0.44191179 1.0 N N60 1 0.81557682 0.39128134 0.03611704 1.0 N N61 1 0.18442318 0.96388296 0.60871866 1.0 N N62 1 0.74206721 0.96414779 0.60874202 1.0 N N63 1 0.25793279 0.39125798 0.03585221 1.0 N N64 1 0.18442318 0.60871866 0.96388296 1.0 N N65 1 0.81557682 0.03611704 0.39128134 1.0 N N66 1 0.25793279 0.03585221 0.39125798 1.0 N N67 1 0.74206721 0.60874202 0.96414779 1.0 N N68 1 0.64954761 0.51746674 0.12488906 1.0 N N69 1 0.35045239 0.87511094 0.48253326 1.0 N N70 1 0.79106839 0.87570649 0.48261759 1.0 N N71 1 0.20893161 0.51738241 0.12429351 1.0 N N72 1 0.35045239 0.48253326 0.87511094 1.0 N N73 1 0.64954761 0.12488906 0.51746674 1.0 N N74 1 0.20893161 0.12429351 0.51738241 1.0 N N75 1 0.79106839 0.48261759 0.87570649 1.0 N N76 1 0.57487578 0.38596905 0.96391857 1.0 N N77 1 0.42512422 0.03608143 0.61403095 1.0 N N78 1 0.42512422 0.61403095 0.03608143 1.0 N N79 1 0.57487578 0.96391857 0.38596905 1.0 N N80 1 0.88171089 0.30534554 0.90270461 1.0 N N81 1 0.11828911 0.09729539 0.69465446 1.0 N N82 1 0.58867029 0.09809403 0.69473491 1.0 N N83 1 0.41132971 0.30526509 0.90190597 1.0 N N84 1 0.11828911 0.69465446 0.09729539 1.0 N N85 1 0.88171089 0.90270461 0.30534554 1.0 N N86 1 0.41132971 0.90190597 0.30526509 1.0 N N87 1 0.58867029 0.69473491 0.09809403 1.0 N N88 1 1.00000000 0.14823272 0.85176728 1.0 N N89 1 0.50000000 0.14842259 0.85157741 1.0 N N90 1 0.00000000 0.85176728 0.14823272 1.0 N N91 1 0.50000000 0.85157741 0.14842259 1.0 N N92 1 0.18543808 0.21305811 0.91633305 1.0 N N93 1 0.81456192 0.08366695 0.78694189 1.0 N N94 1 0.81456192 0.78694189 0.08366695 1.0 N N95 1 0.18543808 0.91633305 0.21305811 1.0