# generated using pymatgen data_Sr3V5S11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65566937 _cell_length_b 8.65566937 _cell_length_c 23.50860668 _cell_angle_alpha 85.78508658 _cell_angle_beta 85.78508658 _cell_angle_gamma 120.22025004 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3V5S11 _chemical_formula_sum 'Sr12 V20 S44' _cell_volume 1505.27237246 _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 Sr Sr0 1 0.80719800 0.85718100 0.17853200 1.0 Sr Sr1 1 0.14281900 0.19280200 0.32146800 1.0 Sr Sr2 1 0.19280200 0.14281900 0.82146800 1.0 Sr Sr3 1 0.85718100 0.80719800 0.67853200 1.0 Sr Sr4 1 0.61155400 0.25900500 0.17601500 1.0 Sr Sr5 1 0.74099500 0.38844600 0.32398500 1.0 Sr Sr6 1 0.38844600 0.74099500 0.82398500 1.0 Sr Sr7 1 0.25900500 0.61155400 0.67601500 1.0 Sr Sr8 1 0.20223000 0.45307700 0.17883100 1.0 Sr Sr9 1 0.54692300 0.79777000 0.32116900 1.0 Sr Sr10 1 0.79777000 0.54692300 0.82116900 1.0 Sr Sr11 1 0.45307700 0.20223000 0.67883100 1.0 V V12 1 0.23578600 0.88016200 0.12429600 1.0 V V13 1 0.11983800 0.76421400 0.37570400 1.0 V V14 1 0.76421400 0.11983800 0.87570400 1.0 V V15 1 0.88016200 0.23578600 0.62429600 1.0 V V16 1 0.17588900 0.82411100 0.25000000 1.0 V V17 1 0.82411100 0.17588900 0.75000000 1.0 V V18 1 0.84718000 0.76040800 0.99760900 1.0 V V19 1 0.23959200 0.15282000 0.50239100 1.0 V V20 1 0.15282000 0.23959200 0.00239100 1.0 V V21 1 0.76040800 0.84718000 0.49760900 1.0 V V22 1 0.00000000 0.50000000 0.00000000 1.0 V V23 1 0.50000000 0.00000000 0.50000000 1.0 V V24 1 0.54729300 0.37113100 0.99980600 1.0 V V25 1 0.62886900 0.45270700 0.50019400 1.0 V V26 1 0.45270700 0.62886900 0.00019400 1.0 V V27 1 0.37113100 0.54729300 0.49980600 1.0 V V28 1 0.25976200 0.93553300 0.99656200 1.0 V V29 1 0.06446700 0.74023800 0.50343800 1.0 V V30 1 0.74023800 0.06446700 0.00343800 1.0 V V31 1 0.93553300 0.25976200 0.49656200 1.0 S S32 1 0.35633000 0.20224800 0.93512500 1.0 S S33 1 0.79775200 0.64367000 0.56487500 1.0 S S34 1 0.64367000 0.79775200 0.06487500 1.0 S S35 1 0.20224800 0.35633000 0.43512500 1.0 S S36 1 0.05829300 0.94978400 0.06004500 1.0 S S37 1 0.05021600 0.94170700 0.43995500 1.0 S S38 1 0.94170700 0.05021600 0.93995500 1.0 S S39 1 0.94978400 0.05829300 0.56004500 1.0 S S40 1 0.98101900 0.63199200 0.18446000 1.0 S S41 1 0.36800800 0.01898100 0.31554000 1.0 S S42 1 0.01898100 0.36800800 0.81554000 1.0 S S43 1 0.63199200 0.98101900 0.68446000 1.0 S S44 1 0.20768000 0.07503500 0.18636600 1.0 S S45 1 0.92496500 0.79232000 0.31363400 1.0 S S46 1 0.79232000 0.92496500 0.81363400 1.0 S S47 1 0.07503500 0.20768000 0.68636600 1.0 S S48 1 0.78049100 0.51731500 0.06166100 1.0 S S49 1 0.48268500 0.21950900 0.43833900 1.0 S S50 1 0.21950900 0.48268500 0.93833900 1.0 S S51 1 0.51731500 0.78049100 0.56166100 1.0 S S52 1 0.49797500 0.09852100 0.05577000 1.0 S S53 1 0.90147900 0.50202500 0.44423000 1.0 S S54 1 0.50202500 0.90147900 0.94423000 1.0 S S55 1 0.09852100 0.49797500 0.55577000 1.0 S S56 1 0.06970100 0.75995500 0.93178100 1.0 S S57 1 0.24004500 0.93029900 0.56821900 1.0 S S58 1 0.93029900 0.24004500 0.06821900 1.0 S S59 1 0.75995500 0.06970100 0.43178100 1.0 S S60 1 0.84171500 0.15828500 0.25000000 1.0 S S61 1 0.15828500 0.84171500 0.75000000 1.0 S S62 1 0.35151900 0.38059600 0.06854700 1.0 S S63 1 0.61940400 0.64848100 0.43145300 1.0 S S64 1 0.64848100 0.61940400 0.93145300 1.0 S S65 1 0.38059600 0.35151900 0.56854700 1.0 S S66 1 0.77556000 0.32553900 0.94283900 1.0 S S67 1 0.67446100 0.22444000 0.55716100 1.0 S S68 1 0.22444000 0.67446100 0.05716100 1.0 S S69 1 0.32553900 0.77556000 0.44283900 1.0 S S70 1 0.42658800 0.84983900 0.18618400 1.0 S S71 1 0.15016100 0.57341200 0.31381600 1.0 S S72 1 0.57341200 0.15016100 0.81381600 1.0 S S73 1 0.84983900 0.42658800 0.68618400 1.0 S S74 1 0.50974600 0.49025400 0.25000000 1.0 S S75 1 0.49025400 0.50974600 0.75000000 1.0