# generated using pymatgen data_Sr25Cl52 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65363700 _cell_length_b 13.23776250 _cell_length_c 20.64530692 _cell_angle_alpha 108.65260884 _cell_angle_beta 94.03264542 _cell_angle_gamma 96.25082365 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr25Cl52 _chemical_formula_sum 'Sr25 Cl52' _cell_volume 2213.54967102 _cell_formula_units_Z 1 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 0.76002300 0.60051100 0.98006000 1.0 Sr Sr1 1 0.83924100 0.39900200 0.81980300 1.0 Sr Sr2 1 0.32791600 0.19997400 0.86062800 1.0 Sr Sr3 1 0.44068600 0.39942900 0.62023500 1.0 Sr Sr4 1 0.79978400 0.00057400 0.89982700 1.0 Sr Sr5 1 0.91185900 0.19987100 0.65976300 1.0 Sr Sr6 1 0.27564500 0.79635100 0.93912700 1.0 Sr Sr7 1 0.03717000 0.39655600 0.42202500 1.0 Sr Sr8 1 0.40079300 0.00181800 0.69981500 1.0 Sr Sr9 1 0.51880200 0.19998600 0.45730300 1.0 Sr Sr10 1 0.88188700 0.79646300 0.73978800 1.0 Sr Sr11 1 0.64201700 0.39717200 0.21967300 1.0 Sr Sr12 1 0.00000000 0.00000000 0.50000000 1.0 Sr Sr13 1 0.35798300 0.60282800 0.78032700 1.0 Sr Sr14 1 0.11811300 0.20353700 0.26021200 1.0 Sr Sr15 1 0.48119800 0.80001400 0.54269700 1.0 Sr Sr16 1 0.59920700 0.99818200 0.30018500 1.0 Sr Sr17 1 0.23997700 0.39948900 0.01994000 1.0 Sr Sr18 1 0.96283000 0.60344400 0.57797500 1.0 Sr Sr19 1 0.08814100 0.80012900 0.34023700 1.0 Sr Sr20 1 0.72435500 0.20364900 0.06087300 1.0 Sr Sr21 1 0.55931400 0.60057100 0.37976500 1.0 Sr Sr22 1 0.20021600 0.99942600 0.10017300 1.0 Sr Sr23 1 0.67208400 0.80002600 0.13937200 1.0 Sr Sr24 1 0.16075900 0.60099800 0.18019700 1.0 Cl Cl25 1 0.89087600 0.40123400 0.96956000 1.0 Cl Cl26 1 0.18950400 0.40004600 0.87013200 1.0 Cl Cl27 1 0.48584600 0.40700900 0.77032100 1.0 Cl Cl28 1 0.67341700 0.20003000 0.91575800 1.0 Cl Cl29 1 0.98134900 0.19991900 0.81183600 1.0 Cl Cl30 1 0.14934600 0.00042900 0.95004000 1.0 Cl Cl31 1 0.44437000 0.99300900 0.85299200 1.0 Cl Cl32 1 0.79559900 0.40718600 0.66685900 1.0 Cl Cl33 1 0.09022400 0.39985900 0.57001400 1.0 Cl Cl34 1 0.62018700 0.20011800 0.75986000 1.0 Cl Cl35 1 0.56670000 0.20012800 0.60403100 1.0 Cl Cl36 1 0.25857000 0.20006600 0.70815800 1.0 Cl Cl37 1 0.92953000 0.79972600 0.89003200 1.0 Cl Cl38 1 0.68988500 0.39983900 0.37009900 1.0 Cl Cl39 1 0.05039800 0.99995400 0.64988400 1.0 Cl Cl40 1 0.39017200 0.40033400 0.47000400 1.0 Cl Cl41 1 0.75419100 0.99292200 0.74968200 1.0 Cl Cl42 1 0.40979200 0.59968700 0.93000200 1.0 Cl Cl43 1 0.52958100 0.80018700 0.69051800 1.0 Cl Cl44 1 0.86984100 0.19917800 0.51032400 1.0 Cl Cl45 1 0.16957400 0.19989100 0.40992500 1.0 Cl Cl46 1 0.22956500 0.80054100 0.78927500 1.0 Cl Cl47 1 0.65035100 0.00036500 0.44976800 1.0 Cl Cl48 1 0.34964900 0.99963500 0.55023200 1.0 Cl Cl49 1 0.28943500 0.40025700 0.16984400 1.0 Cl Cl50 1 0.98968900 0.40054400 0.26985000 1.0 Cl Cl51 1 0.01031100 0.59945600 0.73015000 1.0 Cl Cl52 1 0.71056500 0.59974300 0.83015600 1.0 Cl Cl53 1 0.77043500 0.19945900 0.21072500 1.0 Cl Cl54 1 0.47041900 0.19981300 0.30948200 1.0 Cl Cl55 1 0.13015900 0.80082200 0.48967600 1.0 Cl Cl56 1 0.83042600 0.80010900 0.59007500 1.0 Cl Cl57 1 0.94960200 0.00004600 0.35011600 1.0 Cl Cl58 1 0.60982800 0.59966600 0.52999600 1.0 Cl Cl59 1 0.24580900 0.00707800 0.25031800 1.0 Cl Cl60 1 0.31011500 0.60016100 0.62990100 1.0 Cl Cl61 1 0.59020800 0.40031300 0.06999800 1.0 Cl Cl62 1 0.74143000 0.79993400 0.29184200 1.0 Cl Cl63 1 0.43330000 0.79987200 0.39596900 1.0 Cl Cl64 1 0.36908800 0.20010100 0.00996400 1.0 Cl Cl65 1 0.07047000 0.20027400 0.10996800 1.0 Cl Cl66 1 0.37981300 0.79988200 0.24014000 1.0 Cl Cl67 1 0.20440100 0.59281400 0.33314100 1.0 Cl Cl68 1 0.90977600 0.60014100 0.42998600 1.0 Cl Cl69 1 0.85065400 0.99957100 0.04996000 1.0 Cl Cl70 1 0.55563000 0.00699100 0.14700800 1.0 Cl Cl71 1 0.32658300 0.79997000 0.08424200 1.0 Cl Cl72 1 0.01865100 0.80008100 0.18816400 1.0 Cl Cl73 1 0.81049600 0.59995400 0.12986800 1.0 Cl Cl74 1 0.51415400 0.59299100 0.22967900 1.0 Cl Cl75 1 0.63091200 0.79989900 0.99003600 1.0 Cl Cl76 1 0.10912400 0.59876600 0.03044000 1.0