# generated using pymatgen data_CsTiH10C4O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.94510100 _cell_length_b 7.22841600 _cell_length_c 8.01565343 _cell_angle_alpha 77.92295186 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsTiH10C4O13 _chemical_formula_sum 'Cs2 Ti2 H20 C8 O26' _cell_volume 676.78658771 _cell_formula_units_Z 2 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 0.75000000 0.94382500 0.74024300 1.0 Cs Cs1 1 0.25000000 0.05617500 0.25975700 1.0 Ti Ti2 1 0.25000000 0.31649500 0.70060000 1.0 Ti Ti3 1 0.75000000 0.68350500 0.29940000 1.0 H H4 1 0.18109600 0.67890000 0.57703200 1.0 H H5 1 0.68109600 0.32110000 0.42296800 1.0 H H6 1 0.81890400 0.32110000 0.42296800 1.0 H H7 1 0.31890400 0.67890000 0.57703200 1.0 H H8 1 0.06504200 0.87753000 0.88174900 1.0 H H9 1 0.56504200 0.12247000 0.11825100 1.0 H H10 1 0.93495800 0.12247000 0.11825100 1.0 H H11 1 0.43495800 0.87753000 0.88174900 1.0 H H12 1 0.18644700 0.54788600 0.10288600 1.0 H H13 1 0.68644700 0.45211400 0.89711400 1.0 H H14 1 0.81355300 0.45211400 0.89711400 1.0 H H15 1 0.31355300 0.54788600 0.10288600 1.0 H H16 1 0.01885500 0.83641700 0.70963000 1.0 H H17 1 0.51885500 0.16358300 0.29037000 1.0 H H18 1 0.98114500 0.16358300 0.29037000 1.0 H H19 1 0.48114500 0.83641700 0.70963000 1.0 H H20 1 0.92633000 0.62123500 0.06411600 1.0 H H21 1 0.42633000 0.37876500 0.93588400 1.0 H H22 1 0.07367000 0.37876500 0.93588400 1.0 H H23 1 0.57367000 0.62123500 0.06411600 1.0 C C24 1 0.99108600 0.32409600 0.73989800 1.0 C C25 1 0.49108600 0.67590400 0.26010200 1.0 C C26 1 0.00891400 0.67590400 0.26010200 1.0 C C27 1 0.50891400 0.32409600 0.73989800 1.0 C C28 1 0.02151300 0.27570300 0.57418400 1.0 C C29 1 0.52151300 0.72429700 0.42581600 1.0 C C30 1 0.97848700 0.72429700 0.42581600 1.0 C C31 1 0.47848700 0.27570300 0.57418400 1.0 O O32 1 0.25000000 0.61962700 0.63546300 1.0 O O33 1 0.75000000 0.38037300 0.36453700 1.0 O O34 1 0.25000000 0.12939900 0.86320600 1.0 O O35 1 0.75000000 0.87060100 0.13679400 1.0 O O36 1 0.25000000 0.47554600 0.07023600 1.0 O O37 1 0.75000000 0.52445400 0.92976400 1.0 O O38 1 0.08204800 0.39800600 0.81112900 1.0 O O39 1 0.58204800 0.60199400 0.18887100 1.0 O O40 1 0.91795200 0.60199400 0.18887100 1.0 O O41 1 0.41795200 0.39800600 0.81112900 1.0 O O42 1 0.12917900 0.27915200 0.54062000 1.0 O O43 1 0.62917900 0.72084800 0.45938000 1.0 O O44 1 0.87082100 0.72084800 0.45938000 1.0 O O45 1 0.37082100 0.27915200 0.54062000 1.0 O O46 1 0.89854700 0.30127000 0.80974700 1.0 O O47 1 0.39854700 0.69873000 0.19025300 1.0 O O48 1 0.10145300 0.69873000 0.19025300 1.0 O O49 1 0.60145300 0.30127000 0.80974700 1.0 O O50 1 0.94700400 0.22560400 0.48105200 1.0 O O51 1 0.44700400 0.77439600 0.51894800 1.0 O O52 1 0.05299600 0.77439600 0.51894800 1.0 O O53 1 0.55299600 0.22560400 0.48105200 1.0 O O54 1 0.99554000 0.86084600 0.82237800 1.0 O O55 1 0.49554000 0.13915400 0.17762200 1.0 O O56 1 0.00446000 0.13915400 0.17762200 1.0 O O57 1 0.50446000 0.86084600 0.82237800 1.0