# generated using pymatgen data_Sr2CoN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43239345 _cell_length_b 16.58662216 _cell_length_c 11.56932137 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.29712961 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2CoN2 _chemical_formula_sum 'Sr32 Co16 N32' _cell_volume 1592.08044581 _cell_formula_units_Z 16 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 Sr Sr0 1 0.16140766 0.75000000 0.74044915 1.0 Sr Sr1 1 0.83859234 0.25000000 0.25955085 1.0 Sr Sr2 1 0.57543068 0.75000000 0.15255891 1.0 Sr Sr3 1 0.42456932 0.25000000 0.84744109 1.0 Sr Sr4 1 0.94965350 0.58947172 0.75750624 1.0 Sr Sr5 1 0.05034650 0.08947172 0.24249376 1.0 Sr Sr6 1 0.05034650 0.41052828 0.24249376 1.0 Sr Sr7 1 0.94965350 0.91052828 0.75750624 1.0 Sr Sr8 1 0.64240369 0.39221814 0.40775259 1.0 Sr Sr9 1 0.35759631 0.89221814 0.59224741 1.0 Sr Sr10 1 0.35759631 0.60778186 0.59224741 1.0 Sr Sr11 1 0.64240369 0.10778186 0.40775259 1.0 Sr Sr12 1 0.77957672 0.25000000 0.66964642 1.0 Sr Sr13 1 0.22042328 0.75000000 0.33035358 1.0 Sr Sr14 1 0.31670671 0.56023813 0.04423117 1.0 Sr Sr15 1 0.68329329 0.06023813 0.95576883 1.0 Sr Sr16 1 0.68329329 0.43976187 0.95576883 1.0 Sr Sr17 1 0.31670671 0.93976187 0.04423117 1.0 Sr Sr18 1 -0.00000000 0.50000000 0.50000000 1.0 Sr Sr19 1 -0.00000000 -0.00000000 0.50000000 1.0 Sr Sr20 1 0.40914108 0.35114500 0.12052474 1.0 Sr Sr21 1 0.59085892 0.85114500 0.87947526 1.0 Sr Sr22 1 0.59085892 0.64885500 0.87947526 1.0 Sr Sr23 1 0.40914108 0.14885500 0.12052474 1.0 Sr Sr24 1 0.08663524 0.36705112 0.85243821 1.0 Sr Sr25 1 0.91336476 0.86705112 0.14756179 1.0 Sr Sr26 1 0.91336476 0.63294888 0.14756179 1.0 Sr Sr27 1 0.08663524 0.13294888 0.85243821 1.0 Sr Sr28 1 0.69454225 0.63328716 0.42632721 1.0 Sr Sr29 1 0.30545775 0.13328716 0.57367279 1.0 Sr Sr30 1 0.30545775 0.36671284 0.57367279 1.0 Sr Sr31 1 0.69454225 0.86671284 0.42632721 1.0 Co Co32 1 0.91961994 0.75000000 0.92487017 1.0 Co Co33 1 0.08038006 0.25000000 0.07512983 1.0 Co Co34 1 0.64466642 0.51492328 0.19998702 1.0 Co Co35 1 0.35533358 0.01492328 0.80001298 1.0 Co Co36 1 0.35533358 0.48507672 0.80001298 1.0 Co Co37 1 0.64466642 0.98507672 0.19998702 1.0 Co Co38 1 0.02542114 0.25000000 0.51742804 1.0 Co Co39 1 0.97457886 0.75000000 0.48257196 1.0 Co Co40 1 0.65626310 0.46379997 0.68272440 1.0 Co Co41 1 0.34373690 0.96379997 0.31727560 1.0 Co Co42 1 0.34373690 0.53620003 0.31727560 1.0 Co Co43 1 0.65626310 0.03620003 0.68272440 1.0 Co Co44 1 0.64132219 0.75000000 0.67468213 1.0 Co Co45 1 0.35867781 0.25000000 0.32531787 1.0 Co Co46 1 0.80917551 0.25000000 0.99269680 1.0 Co Co47 1 0.19082449 0.75000000 0.00730320 1.0 N N48 1 0.55911119 0.25000000 0.30415099 1.0 N N49 1 0.44088881 0.75000000 0.69584901 1.0 N N50 1 0.81710071 0.75000000 0.77735859 1.0 N N51 1 0.18289929 0.25000000 0.22264141 1.0 N N52 1 0.46228829 0.48392712 0.23767592 1.0 N N53 1 0.53771171 0.98392712 0.76232408 1.0 N N54 1 0.53771171 0.51607288 0.76232408 1.0 N N55 1 0.46228829 0.01607288 0.23767592 1.0 N N56 1 0.37159881 0.42079728 0.92497887 1.0 N N57 1 0.62840119 0.92079728 0.07502113 1.0 N N58 1 0.62840119 0.57920272 0.07502113 1.0 N N59 1 0.37159881 0.07920272 0.92497887 1.0 N N60 1 0.82383272 0.50688645 0.30434101 1.0 N N61 1 0.17616728 0.00688645 0.69565899 1.0 N N62 1 0.17616728 0.49311355 0.69565899 1.0 N N63 1 0.82383272 0.99311355 0.30434101 1.0 N N64 1 0.61943307 0.37193752 0.61838637 1.0 N N65 1 0.38056693 0.87193752 0.38161363 1.0 N N66 1 0.38056693 0.62806248 0.38161363 1.0 N N67 1 0.61943307 0.12806248 0.61838637 1.0 N N68 1 0.07894485 0.66206307 0.96250010 1.0 N N69 1 0.92105515 0.16206307 0.03749990 1.0 N N70 1 0.92105515 0.33793693 0.03749990 1.0 N N71 1 0.07894485 0.83793693 0.96250010 1.0 N N72 1 0.76585175 0.75000000 0.01953253 1.0 N N73 1 0.23414825 0.25000000 0.98046747 1.0 N N74 1 0.99089058 0.34060294 0.43946509 1.0 N N75 1 0.00910942 0.84060294 0.56053491 1.0 N N76 1 0.00910942 0.65939706 0.56053491 1.0 N N77 1 0.99089058 0.15939706 0.43946509 1.0 N N78 1 0.85961967 0.75000000 0.33070280 1.0 N N79 1 0.14038033 0.25000000 0.66929720 1.0