# generated using pymatgen data_Sr8Ga16S31 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.08139100 _cell_length_b 11.98422392 _cell_length_c 12.25468040 _cell_angle_alpha 104.64359447 _cell_angle_beta 104.94459639 _cell_angle_gamma 118.67668553 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr8Ga16S31 _chemical_formula_sum 'Sr8 Ga16 S31' _cell_volume 1347.47313180 _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 0.62105200 0.37054500 0.75168900 1.0 Sr Sr1 1 0.61495200 0.86726200 0.75372800 1.0 Sr Sr2 1 0.88160600 0.12302400 0.25091600 1.0 Sr Sr3 1 0.12656400 0.37748900 0.75034900 1.0 Sr Sr4 1 0.87416600 0.62320900 0.24976900 1.0 Sr Sr5 1 0.12704700 0.87480300 0.75121500 1.0 Sr Sr6 1 0.36932200 0.12641200 0.24891300 1.0 Sr Sr7 1 0.38001400 0.63114400 0.24770800 1.0 Ga Ga8 1 0.02170900 0.61279800 0.00456600 1.0 Ga Ga9 1 0.13771800 0.61053900 0.50005100 1.0 Ga Ga10 1 0.38620800 0.86260400 0.00060600 1.0 Ga Ga11 1 0.36239900 0.97021200 0.49838200 1.0 Ga Ga12 1 0.10480000 0.13709800 0.00204400 1.0 Ga Ga13 1 0.13772300 0.11132200 0.49976500 1.0 Ga Ga14 1 0.35961700 0.46703200 0.50048500 1.0 Ga Ga15 1 0.46743900 0.35989900 0.99992900 1.0 Ga Ga16 1 0.53475900 0.64282300 0.99856300 1.0 Ga Ga17 1 0.64010400 0.53287300 0.49921100 1.0 Ga Ga18 1 0.86215000 0.88893600 0.50103700 1.0 Ga Ga19 1 0.88848400 0.85782100 0.00235400 1.0 Ga Ga20 1 0.64123900 0.03453900 0.49820900 1.0 Ga Ga21 1 0.61087800 0.13433300 0.00195300 1.0 Ga Ga22 1 0.86603300 0.39282600 0.49839800 1.0 Ga Ga23 1 0.95667200 0.37004600 0.00987100 1.0 S S24 1 0.17641800 0.82651300 0.00411500 1.0 S S25 1 0.75838400 0.25804600 0.66180800 1.0 S S26 1 0.16542800 0.82147300 0.49390800 1.0 S S27 1 0.74339700 0.24377500 0.83787200 1.0 S S28 1 0.15365500 0.31023000 0.50169900 1.0 S S29 1 0.75478500 0.75411300 0.66375400 1.0 S S30 1 0.34652200 0.65664600 0.49679400 1.0 S S31 1 0.74750300 0.24547700 0.33324500 1.0 S S32 1 0.30670500 0.15479700 0.00103700 1.0 S S33 1 0.13518400 0.33416700 0.00780900 1.0 S S34 1 0.75239100 0.75289300 0.16491800 1.0 S S35 1 0.74557600 0.74509900 0.83595100 1.0 S S36 1 0.34860700 0.65731700 0.00132300 1.0 S S37 1 0.74463200 0.74466900 0.33603300 1.0 S S38 1 0.65910000 0.84858200 0.50052300 1.0 S S39 1 0.34135100 0.15154800 0.49986100 1.0 S S40 1 0.25574100 0.25576900 0.66366400 1.0 S S41 1 0.64735900 0.33924800 0.00131300 1.0 S S42 1 0.25444200 0.25520600 0.16427900 1.0 S S43 1 0.24262800 0.24292600 0.83855100 1.0 S S44 1 0.84269200 0.64561100 0.00655200 1.0 S S45 1 0.69345400 0.84642500 0.99865200 1.0 S S46 1 0.25590500 0.75698900 0.66155500 1.0 S S47 1 0.66395900 0.35366900 0.49720500 1.0 S S48 1 0.24433800 0.24535500 0.33700000 1.0 S S49 1 0.84365200 0.68827200 0.49951400 1.0 S S50 1 0.27316500 0.77441400 0.81836400 1.0 S S51 1 0.25455400 0.75446400 0.16374100 1.0 S S52 1 0.84775500 0.19239600 0.49679400 1.0 S S53 1 0.25041700 0.75099100 0.33458900 1.0 S S54 1 0.81434800 0.16563200 0.00286700 1.0