# generated using pymatgen data_SI3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.16438100 _cell_length_b 9.96817800 _cell_length_c 20.99460700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SI3O10 _chemical_formula_sum 'S8 I24 O80' _cell_volume 1917.90314011 _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 S S0 1 0.77896000 0.18367600 0.24830000 1.0 S S1 1 0.22104000 0.68367700 0.75170000 1.0 S S2 1 0.72104000 0.68367700 0.74830000 1.0 S S3 1 0.27896000 0.18367600 0.25170000 1.0 S S4 1 0.92217200 0.66945700 0.26719400 1.0 S S5 1 0.07782800 0.16945700 0.73280600 1.0 S S6 1 0.57782800 0.16945700 0.76719400 1.0 S S7 1 0.42217200 0.66945700 0.23280600 1.0 I I8 1 0.74475100 0.67501200 0.00005500 1.0 I I9 1 0.25524900 0.17501200 0.99994500 1.0 I I10 1 0.75524900 0.17501200 0.50005500 1.0 I I11 1 0.24475100 0.67501200 0.49994500 1.0 I I12 1 0.75491500 0.17543700 0.00441400 1.0 I I13 1 0.24508500 0.67543700 0.99558600 1.0 I I14 1 0.74508500 0.67543700 0.50441400 1.0 I I15 1 0.25491500 0.17543700 0.49558600 1.0 I I16 1 0.62160200 0.92839400 0.89389500 1.0 I I17 1 0.37839800 0.42839400 0.10610500 1.0 I I18 1 0.87839800 0.42839400 0.39389500 1.0 I I19 1 0.12160200 0.92839400 0.60610500 1.0 I I20 1 0.12097500 0.92470900 0.88848200 1.0 I I21 1 0.87902500 0.42470900 0.11151800 1.0 I I22 1 0.37902500 0.42470900 0.38848200 1.0 I I23 1 0.62097500 0.92470900 0.61151800 1.0 I I24 1 0.75102500 0.41669400 0.87640900 1.0 I I25 1 0.24897500 0.91669400 0.12359100 1.0 I I26 1 0.74897500 0.91669400 0.37640900 1.0 I I27 1 0.25102500 0.41669400 0.62359100 1.0 I I28 1 0.72985000 0.92945900 0.12820800 1.0 I I29 1 0.27015000 0.42945900 0.87179200 1.0 I I30 1 0.77015000 0.42945900 0.62820800 1.0 I I31 1 0.22985000 0.92945900 0.37179200 1.0 O O32 1 0.81639200 0.92001000 0.89292500 1.0 O O33 1 0.18360800 0.42001000 0.10707500 1.0 O O34 1 0.68360800 0.42001000 0.39292500 1.0 O O35 1 0.31639200 0.92001000 0.60707500 1.0 O O36 1 0.58898900 0.05430400 0.95945400 1.0 O O37 1 0.41101100 0.55430400 0.04054600 1.0 O O38 1 0.91101100 0.55430400 0.45945400 1.0 O O39 1 0.08898900 0.05430400 0.54054600 1.0 O O40 1 0.58313400 0.77645200 0.94837600 1.0 O O41 1 0.41686600 0.27645200 0.05162400 1.0 O O42 1 0.91686600 0.27645200 0.44837600 1.0 O O43 1 0.08313400 0.77645200 0.55162400 1.0 O O44 1 0.07941400 0.79196800 0.95116500 1.0 O O45 1 0.92058600 0.29196800 0.04883500 1.0 O O46 1 0.42058600 0.29196800 0.45116500 1.0 O O47 1 0.57941400 0.79196800 0.54883500 1.0 O O48 1 0.31602700 0.91990800 0.88868500 1.0 O O49 1 0.68397300 0.41990800 0.11131500 1.0 O O50 1 0.18397300 0.41990800 0.38868500 1.0 O O51 1 0.81602700 0.91990800 0.61131500 1.0 O O52 1 0.08537700 0.07272400 0.94132500 1.0 O O53 1 0.91462300 0.57272400 0.05867500 1.0 O O54 1 0.41462300 0.57272400 0.44132500 1.0 O O55 1 0.58537700 0.07272400 0.55867500 1.0 O O56 1 0.82834800 0.00102000 0.05702700 1.0 O O57 1 0.17165200 0.50102000 0.94297300 1.0 O O58 1 0.67165200 0.50102000 0.55702700 1.0 O O59 1 0.32834800 0.00102000 0.44297300 1.0 O O60 1 0.67856400 0.76565100 0.08923200 1.0 O O61 1 0.32143600 0.26565100 0.91076800 1.0 O O62 1 0.82143600 0.26565100 0.58923200 1.0 O O63 1 0.17856400 0.76565100 0.41076800 1.0 O O64 1 0.81028300 0.58226700 0.91384100 1.0 O O65 1 0.18971700 0.08226700 0.08615900 1.0 O O66 1 0.68971700 0.08226700 0.41384100 1.0 O O67 1 0.31028300 0.58226700 0.58615900 1.0 O O68 1 0.67885500 0.34480600 0.95497800 1.0 O O69 1 0.32114500 0.84480600 0.04502200 1.0 O O70 1 0.82114500 0.84480600 0.45497800 1.0 O O71 1 0.17885500 0.34480600 0.54502200 1.0 O O72 1 0.44297400 0.51170500 0.87585500 1.0 O O73 1 0.55702600 0.01170500 0.12414500 1.0 O O74 1 0.05702600 0.01170500 0.37585500 1.0 O O75 1 0.94297400 0.51170500 0.62414500 1.0 O O76 1 0.07253900 0.84397100 0.12937100 1.0 O O77 1 0.92746100 0.34397100 0.87062900 1.0 O O78 1 0.42746100 0.34397100 0.62937100 1.0 O O79 1 0.57253900 0.84397100 0.37062900 1.0 O O80 1 0.83894800 0.17911600 0.18294800 1.0 O O81 1 0.16105200 0.67911600 0.81705200 1.0 O O82 1 0.66105200 0.67911600 0.68294800 1.0 O O83 1 0.33894800 0.17911600 0.31705200 1.0 O O84 1 0.88733400 0.23689000 0.29561900 1.0 O O85 1 0.11266600 0.73689000 0.70438100 1.0 O O86 1 0.61266600 0.73689000 0.79561900 1.0 O O87 1 0.38733400 0.23689000 0.20438100 1.0 O O88 1 0.72681500 0.04806600 0.26624800 1.0 O O89 1 0.27318500 0.54806600 0.73375200 1.0 O O90 1 0.77318500 0.54806600 0.76624800 1.0 O O91 1 0.22681500 0.04806600 0.23375200 1.0 O O92 1 0.66215300 0.28799100 0.25503600 1.0 O O93 1 0.33784700 0.78799100 0.74496400 1.0 O O94 1 0.83784700 0.78799100 0.75503600 1.0 O O95 1 0.16215300 0.28799100 0.24496400 1.0 O O96 1 0.84775600 0.65218200 0.33044100 1.0 O O97 1 0.15224400 0.15218200 0.66955900 1.0 O O98 1 0.65224400 0.15218200 0.83044100 1.0 O O99 1 0.34775600 0.65218200 0.16955900 1.0 O O100 1 0.03422100 0.56204000 0.25816800 1.0 O O101 1 0.96577900 0.06204000 0.74183200 1.0 O O102 1 0.46577900 0.06204000 0.75816800 1.0 O O103 1 0.53422100 0.56204000 0.24183200 1.0 O O104 1 0.98179800 0.80515900 0.26280500 1.0 O O105 1 0.01820200 0.30515900 0.73719500 1.0 O O106 1 0.51820200 0.30515900 0.76280500 1.0 O O107 1 0.48179800 0.80515900 0.23719500 1.0 O O108 1 0.81735800 0.64163100 0.21385900 1.0 O O109 1 0.18264200 0.14163100 0.78614100 1.0 O O110 1 0.68264200 0.14163100 0.71385900 1.0 O O111 1 0.31735800 0.64163100 0.28614100 1.0