# generated using pymatgen data_Na3P6N11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.09767530 _cell_length_b 10.09767530 _cell_length_c 10.09767530 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3P6N11 _chemical_formula_sum 'Na12 P24 N44' _cell_volume 1029.58973579 _cell_formula_units_Z 4 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 Na Na0 1 0.53115903 0.53115903 0.53115903 1.0 Na Na1 1 0.96884097 0.46884097 0.03115903 1.0 Na Na2 1 0.03115903 0.96884097 0.46884097 1.0 Na Na3 1 0.46884097 0.03115903 0.96884097 1.0 Na Na4 1 0.87468867 0.87468867 0.87468867 1.0 Na Na5 1 0.62531133 0.12531133 0.37468867 1.0 Na Na6 1 0.37468867 0.62531133 0.12531133 1.0 Na Na7 1 0.12531133 0.37468867 0.62531133 1.0 Na Na8 1 0.21850082 0.21850082 0.21850082 1.0 Na Na9 1 0.28149918 0.78149918 0.71850082 1.0 Na Na10 1 0.71850082 0.28149918 0.78149918 1.0 Na Na11 1 0.78149918 0.71850082 0.28149918 1.0 P P12 1 0.93674316 0.01489847 0.17382245 1.0 P P13 1 0.67382245 0.56325684 0.98510153 1.0 P P14 1 0.82617755 0.43674316 0.48510153 1.0 P P15 1 0.56325684 0.98510153 0.67382245 1.0 P P16 1 0.48510153 0.82617755 0.43674316 1.0 P P17 1 0.98510153 0.67382245 0.56325684 1.0 P P18 1 0.17382245 0.93674316 0.01489847 1.0 P P19 1 0.01489847 0.17382245 0.93674316 1.0 P P20 1 0.43674316 0.48510153 0.82617755 1.0 P P21 1 0.06325684 0.51489847 0.32617755 1.0 P P22 1 0.51489847 0.32617755 0.06325684 1.0 P P23 1 0.32617755 0.06325684 0.51489847 1.0 P P24 1 0.31176778 0.92529436 0.26504317 1.0 P P25 1 0.81176778 0.57470564 0.73495683 1.0 P P26 1 0.68823222 0.42529436 0.23495683 1.0 P P27 1 0.57470564 0.73495683 0.81176778 1.0 P P28 1 0.23495683 0.68823222 0.42529436 1.0 P P29 1 0.73495683 0.81176778 0.57470564 1.0 P P30 1 0.92529436 0.26504317 0.31176778 1.0 P P31 1 0.26504317 0.31176778 0.92529436 1.0 P P32 1 0.42529436 0.23495683 0.68823222 1.0 P P33 1 0.07470564 0.76504317 0.18823222 1.0 P P34 1 0.76504317 0.18823222 0.07470564 1.0 P P35 1 0.18823222 0.07470564 0.76504317 1.0 N N36 1 0.71214811 0.71214811 0.71214811 1.0 N N37 1 0.87975275 0.78532532 0.52116042 1.0 N N38 1 0.97883958 0.12024725 0.28532532 1.0 N N39 1 0.12024725 0.28532532 0.97883958 1.0 N N40 1 0.47883958 0.37975275 0.71467468 1.0 N N41 1 0.02116042 0.62024725 0.21467468 1.0 N N42 1 0.62024725 0.21467468 0.02116042 1.0 N N43 1 0.21467468 0.02116042 0.62024725 1.0 N N44 1 0.46145586 0.87506022 0.28691337 1.0 N N45 1 0.96145586 0.62493978 0.71308663 1.0 N N46 1 0.53854414 0.37506022 0.21308663 1.0 N N47 1 0.62493978 0.71308663 0.96145586 1.0 N N48 1 0.96472471 0.53527529 0.46472471 1.0 N N49 1 0.53527529 0.46472471 0.96472471 1.0 N N50 1 0.46472471 0.96472471 0.53527529 1.0 N N51 1 0.03527529 0.03527529 0.03527529 1.0 N N52 1 0.28785189 0.21214811 0.78785189 1.0 N N53 1 0.21214811 0.78785189 0.28785189 1.0 N N54 1 0.78785189 0.28785189 0.21214811 1.0 N N55 1 0.37975275 0.71467468 0.47883958 1.0 N N56 1 0.46199056 0.62994016 0.77224056 1.0 N N57 1 0.78532532 0.52116042 0.87975275 1.0 N N58 1 0.71467468 0.47883958 0.37975275 1.0 N N59 1 0.52116042 0.87975275 0.78532532 1.0 N N60 1 0.27224056 0.03800944 0.37005984 1.0 N N61 1 0.37005984 0.27224056 0.03800944 1.0 N N62 1 0.03800944 0.37005984 0.27224056 1.0 N N63 1 0.21308663 0.53854414 0.37506022 1.0 N N64 1 0.87005984 0.22775944 0.96199056 1.0 N N65 1 0.96199056 0.87005984 0.22775944 1.0 N N66 1 0.12993916 0.72775944 0.53800944 1.0 N N67 1 0.62994016 0.77224056 0.46199056 1.0 N N68 1 0.53800944 0.12993916 0.72775944 1.0 N N69 1 0.77224056 0.46199056 0.62994016 1.0 N N70 1 0.72775944 0.53800944 0.12993916 1.0 N N71 1 0.22775944 0.96199056 0.87005984 1.0 N N72 1 0.03854414 0.12493978 0.78691337 1.0 N N73 1 0.78691337 0.03854414 0.12493978 1.0 N N74 1 0.12493978 0.78691337 0.03854414 1.0 N N75 1 0.37506022 0.21308663 0.53854414 1.0 N N76 1 0.28691337 0.46145586 0.87506022 1.0 N N77 1 0.87506022 0.28691337 0.46145586 1.0 N N78 1 0.71308663 0.96145586 0.62493978 1.0 N N79 1 0.28532532 0.97883958 0.12024725 1.0