# generated using pymatgen data_CsTiH24(SO10)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.58859000 _cell_length_b 12.58859000 _cell_length_c 12.58859000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTiH24(SO10)2 _chemical_formula_sum 'Cs4 Ti4 H96 S8 O80' _cell_volume 1994.94656482 _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 Cs Cs0 1 0.00000000 0.00000000 0.50000000 1.0 Cs Cs1 1 0.00000000 0.50000000 0.00000000 1.0 Cs Cs2 1 0.50000000 0.00000000 0.00000000 1.0 Cs Cs3 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti4 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti5 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti6 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti7 1 0.00000000 0.00000000 0.00000000 1.0 H H8 1 0.21960300 0.50929900 0.23141900 1.0 H H9 1 0.78039700 0.00929900 0.26858100 1.0 H H10 1 0.28039700 0.49070100 0.73141900 1.0 H H11 1 0.71960300 0.99070100 0.76858100 1.0 H H12 1 0.23141900 0.21960300 0.50929900 1.0 H H13 1 0.26858100 0.78039700 0.00929900 1.0 H H14 1 0.73141900 0.28039700 0.49070100 1.0 H H15 1 0.76858100 0.71960300 0.99070100 1.0 H H16 1 0.50929900 0.23141900 0.21960300 1.0 H H17 1 0.00929900 0.26858100 0.78039700 1.0 H H18 1 0.49070100 0.73141900 0.28039700 1.0 H H19 1 0.99070100 0.76858100 0.71960300 1.0 H H20 1 0.78039700 0.49070100 0.76858100 1.0 H H21 1 0.21960300 0.99070100 0.73141900 1.0 H H22 1 0.71960300 0.50929900 0.26858100 1.0 H H23 1 0.28039700 0.00929900 0.23141900 1.0 H H24 1 0.76858100 0.78039700 0.49070100 1.0 H H25 1 0.73141900 0.21960300 0.99070100 1.0 H H26 1 0.26858100 0.71960300 0.50929900 1.0 H H27 1 0.23141900 0.28039700 0.00929900 1.0 H H28 1 0.49070100 0.76858100 0.78039700 1.0 H H29 1 0.99070100 0.73141900 0.21960300 1.0 H H30 1 0.50929900 0.26858100 0.71960300 1.0 H H31 1 0.00929900 0.23141900 0.28039700 1.0 H H32 1 0.18131600 0.62709600 0.22299200 1.0 H H33 1 0.81868400 0.12709600 0.27700800 1.0 H H34 1 0.31868400 0.37290400 0.72299200 1.0 H H35 1 0.68131600 0.87290400 0.77700800 1.0 H H36 1 0.22299200 0.18131600 0.62709600 1.0 H H37 1 0.27700800 0.81868400 0.12709600 1.0 H H38 1 0.72299200 0.31868400 0.37290400 1.0 H H39 1 0.77700800 0.68131600 0.87290400 1.0 H H40 1 0.62709600 0.22299200 0.18131600 1.0 H H41 1 0.12709600 0.27700800 0.81868400 1.0 H H42 1 0.37290400 0.72299200 0.31868400 1.0 H H43 1 0.87290400 0.77700800 0.68131600 1.0 H H44 1 0.81868400 0.37290400 0.77700800 1.0 H H45 1 0.18131600 0.87290400 0.72299200 1.0 H H46 1 0.68131600 0.62709600 0.27700800 1.0 H H47 1 0.31868400 0.12709600 0.22299200 1.0 H H48 1 0.77700800 0.81868400 0.37290400 1.0 H H49 1 0.72299200 0.18131600 0.87290400 1.0 H H50 1 0.27700800 0.68131600 0.62709600 1.0 H H51 1 0.22299200 0.31868400 0.12709600 1.0 H H52 1 0.37290400 0.77700800 0.81868400 1.0 H H53 1 0.87290400 0.72299200 0.18131600 1.0 H H54 1 0.62709600 0.27700800 0.68131600 1.0 H H55 1 0.12709600 0.22299200 0.31868400 1.0 H H56 1 0.47704300 0.70897400 0.93736400 1.0 H H57 1 0.52295700 0.20897400 0.56263600 1.0 H H58 1 0.02295700 0.29102600 0.43736400 1.0 H H59 1 0.97704300 0.79102600 0.06263600 1.0 H H60 1 0.93736400 0.47704300 0.70897400 1.0 H H61 1 0.56263600 0.52295700 0.20897400 1.0 H H62 1 0.43736400 0.02295700 0.29102600 1.0 H H63 1 0.06263600 0.97704300 0.79102600 1.0 H H64 1 0.70897400 0.93736400 0.47704300 1.0 H H65 1 0.20897400 0.56263600 0.52295700 1.0 H H66 1 0.29102600 0.43736400 0.02295700 1.0 H H67 1 0.79102600 0.06263600 0.97704300 1.0 H H68 1 0.52295700 0.29102600 0.06263600 1.0 H H69 1 0.47704300 0.79102600 0.43736400 1.0 H H70 1 0.97704300 0.70897400 0.56263600 1.0 H H71 1 0.02295700 0.20897400 0.93736400 1.0 H H72 1 0.06263600 0.52295700 0.29102600 1.0 H H73 1 0.43736400 0.47704300 0.79102600 1.0 H H74 1 0.56263600 0.97704300 0.70897400 1.0 H H75 1 0.93736400 0.02295700 0.20897400 1.0 H H76 1 0.29102600 0.06263600 0.52295700 1.0 H H77 1 0.79102600 0.43736400 0.47704300 1.0 H H78 1 0.70897400 0.56263600 0.97704300 1.0 H H79 1 0.20897400 0.93736400 0.02295700 1.0 H H80 1 0.52562400 0.70625400 0.06024900 1.0 H H81 1 0.47437600 0.20625400 0.43975100 1.0 H H82 1 0.97437600 0.29374600 0.56024900 1.0 H H83 1 0.02562400 0.79374600 0.93975100 1.0 H H84 1 0.06024900 0.52562400 0.70625400 1.0 H H85 1 0.43975100 0.47437600 0.20625400 1.0 H H86 1 0.56024900 0.97437600 0.29374600 1.0 H H87 1 0.93975100 0.02562400 0.79374600 1.0 H H88 1 0.70625400 0.06024900 0.52562400 1.0 H H89 1 0.20625400 0.43975100 0.47437600 1.0 H H90 1 0.29374600 0.56024900 0.97437600 1.0 H H91 1 0.79374600 0.93975100 0.02562400 1.0 H H92 1 0.47437600 0.29374600 0.93975100 1.0 H H93 1 0.52562400 0.79374600 0.56024900 1.0 H H94 1 0.02562400 0.70625400 0.43975100 1.0 H H95 1 0.97437600 0.20625400 0.06024900 1.0 H H96 1 0.93975100 0.47437600 0.29374600 1.0 H H97 1 0.56024900 0.52562400 0.79374600 1.0 H H98 1 0.43975100 0.02562400 0.70625400 1.0 H H99 1 0.06024900 0.97437600 0.20625400 1.0 H H100 1 0.29374600 0.93975100 0.47437600 1.0 H H101 1 0.79374600 0.56024900 0.52562400 1.0 H H102 1 0.70625400 0.43975100 0.02562400 1.0 H H103 1 0.20625400 0.06024900 0.97437600 1.0 S S104 1 0.17280100 0.82719900 0.32719900 1.0 S S105 1 0.82719900 0.32719900 0.17280100 1.0 S S106 1 0.32719900 0.17280100 0.82719900 1.0 S S107 1 0.67280100 0.67280100 0.67280100 1.0 S S108 1 0.82719900 0.17280100 0.67280100 1.0 S S109 1 0.17280100 0.67280100 0.82719900 1.0 S S110 1 0.67280100 0.82719900 0.17280100 1.0 S S111 1 0.32719900 0.32719900 0.32719900 1.0 O O112 1 0.24157500 0.75842500 0.25842500 1.0 O O113 1 0.75842500 0.25842500 0.24157500 1.0 O O114 1 0.25842500 0.24157500 0.75842500 1.0 O O115 1 0.74157500 0.74157500 0.74157500 1.0 O O116 1 0.75842500 0.24157500 0.74157500 1.0 O O117 1 0.24157500 0.74157500 0.75842500 1.0 O O118 1 0.74157500 0.75842500 0.24157500 1.0 O O119 1 0.25842500 0.25842500 0.25842500 1.0 O O120 1 0.06469600 0.77892100 0.33675900 1.0 O O121 1 0.93530400 0.27892100 0.16324100 1.0 O O122 1 0.43530400 0.22107900 0.83675900 1.0 O O123 1 0.56469600 0.72107900 0.66324100 1.0 O O124 1 0.33675900 0.06469600 0.77892100 1.0 O O125 1 0.16324100 0.93530400 0.27892100 1.0 O O126 1 0.83675900 0.43530400 0.22107900 1.0 O O127 1 0.66324100 0.56469600 0.72107900 1.0 O O128 1 0.77892100 0.33675900 0.06469600 1.0 O O129 1 0.27892100 0.16324100 0.93530400 1.0 O O130 1 0.22107900 0.83675900 0.43530400 1.0 O O131 1 0.72107900 0.66324100 0.56469600 1.0 O O132 1 0.93530400 0.22107900 0.66324100 1.0 O O133 1 0.06469600 0.72107900 0.83675900 1.0 O O134 1 0.56469600 0.77892100 0.16324100 1.0 O O135 1 0.43530400 0.27892100 0.33675900 1.0 O O136 1 0.66324100 0.93530400 0.22107900 1.0 O O137 1 0.83675900 0.06469600 0.72107900 1.0 O O138 1 0.16324100 0.56469600 0.77892100 1.0 O O139 1 0.33675900 0.43530400 0.27892100 1.0 O O140 1 0.22107900 0.66324100 0.93530400 1.0 O O141 1 0.72107900 0.83675900 0.06469600 1.0 O O142 1 0.77892100 0.16324100 0.56469600 1.0 O O143 1 0.27892100 0.33675900 0.43530400 1.0 O O144 1 0.15721800 0.55295600 0.21256100 1.0 O O145 1 0.84278200 0.05295600 0.28743900 1.0 O O146 1 0.34278200 0.44704400 0.71256100 1.0 O O147 1 0.65721800 0.94704400 0.78743900 1.0 O O148 1 0.21256100 0.15721800 0.55295600 1.0 O O149 1 0.28743900 0.84278200 0.05295600 1.0 O O150 1 0.71256100 0.34278200 0.44704400 1.0 O O151 1 0.78743900 0.65721800 0.94704400 1.0 O O152 1 0.55295600 0.21256100 0.15721800 1.0 O O153 1 0.05295600 0.28743900 0.84278200 1.0 O O154 1 0.44704400 0.71256100 0.34278200 1.0 O O155 1 0.94704400 0.78743900 0.65721800 1.0 O O156 1 0.84278200 0.44704400 0.78743900 1.0 O O157 1 0.15721800 0.94704400 0.71256100 1.0 O O158 1 0.65721800 0.55295600 0.28743900 1.0 O O159 1 0.34278200 0.05295600 0.21256100 1.0 O O160 1 0.78743900 0.84278200 0.44704400 1.0 O O161 1 0.71256100 0.15721800 0.94704400 1.0 O O162 1 0.28743900 0.65721800 0.55295600 1.0 O O163 1 0.21256100 0.34278200 0.05295600 1.0 O O164 1 0.44704400 0.78743900 0.84278200 1.0 O O165 1 0.94704400 0.71256100 0.15721800 1.0 O O166 1 0.55295600 0.28743900 0.65721800 1.0 O O167 1 0.05295600 0.21256100 0.34278200 1.0 O O168 1 0.50011100 0.66221700 0.99922700 1.0 O O169 1 0.49988900 0.16221700 0.50077300 1.0 O O170 1 0.99988900 0.33778300 0.49922700 1.0 O O171 1 0.00011100 0.83778300 0.00077300 1.0 O O172 1 0.99922700 0.50011100 0.66221700 1.0 O O173 1 0.50077300 0.49988900 0.16221700 1.0 O O174 1 0.49922700 0.99988900 0.33778300 1.0 O O175 1 0.00077300 0.00011100 0.83778300 1.0 O O176 1 0.66221700 0.99922700 0.50011100 1.0 O O177 1 0.16221700 0.50077300 0.49988900 1.0 O O178 1 0.33778300 0.49922700 0.99988900 1.0 O O179 1 0.83778300 0.00077300 0.00011100 1.0 O O180 1 0.49988900 0.33778300 0.00077300 1.0 O O181 1 0.50011100 0.83778300 0.49922700 1.0 O O182 1 0.00011100 0.66221700 0.50077300 1.0 O O183 1 0.99988900 0.16221700 0.99922700 1.0 O O184 1 0.00077300 0.49988900 0.33778300 1.0 O O185 1 0.49922700 0.50011100 0.83778300 1.0 O O186 1 0.50077300 0.00011100 0.66221700 1.0 O O187 1 0.99922700 0.99988900 0.16221700 1.0 O O188 1 0.33778300 0.00077300 0.49988900 1.0 O O189 1 0.83778300 0.49922700 0.50011100 1.0 O O190 1 0.66221700 0.50077300 0.00011100 1.0 O O191 1 0.16221700 0.99922700 0.99988900 1.0