# generated using pymatgen data_Sr5FeN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.12069611 _cell_length_b 15.46539497 _cell_length_c 12.99040302 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.11027881 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5FeN4 _chemical_formula_sum 'Sr40 Fe8 N32' _cell_volume 1870.09789013 _cell_formula_units_Z 8 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 0.42963762 0.75000000 0.71396603 1.0 Sr Sr1 1 0.57036238 0.25000000 0.28603397 1.0 Sr Sr2 1 0.56299731 0.75000000 0.30291340 1.0 Sr Sr3 1 0.43700269 0.25000000 0.69708660 1.0 Sr Sr4 1 0.12988187 0.61560166 0.79553356 1.0 Sr Sr5 1 0.87011813 0.11560166 0.20446644 1.0 Sr Sr6 1 0.87011813 0.38439834 0.20446644 1.0 Sr Sr7 1 0.12988187 0.88439834 0.79553356 1.0 Sr Sr8 1 0.78630484 0.36265523 0.57493910 1.0 Sr Sr9 1 0.21369516 0.86265523 0.42506090 1.0 Sr Sr10 1 0.21369516 0.63734477 0.42506090 1.0 Sr Sr11 1 0.78630484 0.13734477 0.57493910 1.0 Sr Sr12 1 0.85794725 0.25000000 0.86253424 1.0 Sr Sr13 1 0.14205275 0.75000000 0.13746576 1.0 Sr Sr14 1 0.21123381 0.49788106 0.04636271 1.0 Sr Sr15 1 0.78876619 0.99788106 0.95363729 1.0 Sr Sr16 1 0.78876619 0.50211894 0.95363729 1.0 Sr Sr17 1 0.21123381 0.00211894 0.04636271 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 0.48619967 0.39130183 0.01769037 1.0 Sr Sr21 1 0.51380033 0.89130183 0.98230963 1.0 Sr Sr22 1 0.51380033 0.60869817 0.98230963 1.0 Sr Sr23 1 0.48619967 0.10869817 0.01769037 1.0 Sr Sr24 1 0.16867422 0.36247407 0.78686800 1.0 Sr Sr25 1 0.83132578 0.86247407 0.21313200 1.0 Sr Sr26 1 0.83132578 0.63752593 0.21313200 1.0 Sr Sr27 1 0.16867422 0.13752593 0.78686800 1.0 Sr Sr28 1 0.74502221 0.62764769 0.67397895 1.0 Sr Sr29 1 0.25497779 0.12764769 0.32602105 1.0 Sr Sr30 1 0.25497779 0.37235231 0.32602105 1.0 Sr Sr31 1 0.74502221 0.87235231 0.67397895 1.0 Sr Sr32 1 0.80726033 0.75000000 0.90590635 1.0 Sr Sr33 1 0.19273967 0.25000000 0.09409365 1.0 Sr Sr34 1 0.59313485 0.47582105 0.28254104 1.0 Sr Sr35 1 0.40686515 0.97582105 0.71745896 1.0 Sr Sr36 1 0.40686515 0.52417895 0.71745896 1.0 Sr Sr37 1 0.59313485 0.02417895 0.28254104 1.0 Sr Sr38 1 0.99552035 0.25000000 0.45205270 1.0 Sr Sr39 1 0.00447965 0.75000000 0.54794730 1.0 Fe Fe40 1 0.93744110 0.45318258 0.80488942 1.0 Fe Fe41 1 0.06255890 0.95318258 0.19511058 1.0 Fe Fe42 1 0.06255890 0.54681742 0.19511058 1.0 Fe Fe43 1 0.93744110 0.04681742 0.80488942 1.0 Fe Fe44 1 0.50974925 0.75000000 0.49313047 1.0 Fe Fe45 1 0.49025075 0.25000000 0.50686953 1.0 Fe Fe46 1 0.61338454 0.25000000 0.93853206 1.0 Fe Fe47 1 0.38661546 0.75000000 0.06146794 1.0 N N48 1 0.98552244 0.25000000 0.64850267 1.0 N N49 1 0.01447756 0.75000000 0.35149733 1.0 N N50 1 0.92784083 0.75000000 0.75883195 1.0 N N51 1 0.07215917 0.25000000 0.24116805 1.0 N N52 1 0.38374964 0.37353718 0.18166425 1.0 N N53 1 0.61625036 0.87353718 0.81833575 1.0 N N54 1 0.61625036 0.62646282 0.81833575 1.0 N N55 1 0.38374964 0.12646282 0.18166425 1.0 N N56 1 0.32548965 0.49375425 0.87125138 1.0 N N57 1 0.67451035 0.99375425 0.12874862 1.0 N N58 1 0.67451035 0.50624575 0.12874862 1.0 N N59 1 0.32548965 0.00624575 0.87125138 1.0 N N60 1 0.92567490 0.49497528 0.68186019 1.0 N N61 1 0.07432510 0.99497528 0.31813981 1.0 N N62 1 0.07432510 0.50502472 0.31813981 1.0 N N63 1 0.92567490 0.00502472 0.68186019 1.0 N N64 1 0.70358117 0.34311706 0.96124612 1.0 N N65 1 0.29641883 0.84311706 0.03875388 1.0 N N66 1 0.29641883 0.65688294 0.03875388 1.0 N N67 1 0.70358117 0.15688294 0.96124612 1.0 N N68 1 0.98067895 0.61535244 0.08957016 1.0 N N69 1 0.01932105 0.11535244 0.91042984 1.0 N N70 1 0.01932105 0.38464756 0.91042984 1.0 N N71 1 0.98067895 0.88464756 0.08957016 1.0 N N72 1 0.57902289 0.75000000 0.11559555 1.0 N N73 1 0.42097711 0.25000000 0.88440445 1.0 N N74 1 0.80914498 0.37983239 0.38867126 1.0 N N75 1 0.19085502 0.87983239 0.61132874 1.0 N N76 1 0.19085502 0.62016761 0.61132874 1.0 N N77 1 0.80914498 0.12016761 0.38867126 1.0 N N78 1 0.68631498 0.75000000 0.51821402 1.0 N N79 1 0.31368502 0.25000000 0.48178598 1.0