# generated using pymatgen data_NaH5(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98169800 _cell_length_b 9.58901830 _cell_length_c 13.03566611 _cell_angle_alpha 68.97508603 _cell_angle_beta 84.26282891 _cell_angle_gamma 84.48354419 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaH5(SO4)3 _chemical_formula_sum 'Na2 H10 S6 O24' _cell_volume 692.96914476 _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 Na Na0 1 0.86487600 0.19243400 0.31356900 1.0 Na Na1 1 0.13512400 0.80756600 0.68643100 1.0 H H2 1 0.44675900 0.50030400 0.24187100 1.0 H H3 1 0.55324100 0.49969600 0.75812900 1.0 H H4 1 0.20904800 0.39471500 0.76108000 1.0 H H5 1 0.79095200 0.60528500 0.23892000 1.0 H H6 1 0.82073900 0.10447400 0.83418500 1.0 H H7 1 0.17926100 0.89552600 0.16581500 1.0 H H8 1 0.82252100 0.19018700 0.03317100 1.0 H H9 1 0.17747900 0.80981300 0.96682900 1.0 H H10 1 0.44650000 0.16658400 0.62998600 1.0 H H11 1 0.55350000 0.83341600 0.37001400 1.0 S S12 1 0.13577200 0.74193300 0.07965100 1.0 S S13 1 0.86422800 0.25806700 0.92034900 1.0 S S14 1 0.41629400 0.25608500 0.52153600 1.0 S S15 1 0.58370600 0.74391500 0.47846400 1.0 S S16 1 0.31807600 0.24941100 0.17921800 1.0 S S17 1 0.68192400 0.75058900 0.82078200 1.0 O O18 1 0.90358200 0.69159000 0.09450800 1.0 O O19 1 0.09641800 0.30841000 0.90549200 1.0 O O20 1 0.18736800 0.36260300 0.21886600 1.0 O O21 1 0.81263200 0.63739700 0.78113400 1.0 O O22 1 0.16110000 0.73204400 0.35964700 1.0 O O23 1 0.83890000 0.26795600 0.64035300 1.0 O O24 1 0.47376600 0.59664500 0.24773400 1.0 O O25 1 0.52623400 0.40335500 0.75226600 1.0 O O26 1 0.61001300 0.21946600 0.45472600 1.0 O O27 1 0.38998700 0.78053400 0.54527400 1.0 O O28 1 0.19517300 0.11232300 0.52953600 1.0 O O29 1 0.80482700 0.88767700 0.47046400 1.0 O O30 1 0.80174300 0.90177000 0.56636000 1.0 O O31 1 0.19825700 0.09823000 0.43364000 1.0 O O32 1 0.68355400 0.56453700 0.30443500 1.0 O O33 1 0.31644600 0.43546300 0.69556500 1.0 O O34 1 0.56128600 0.23269000 0.19811400 1.0 O O35 1 0.43871400 0.76731000 0.80188600 1.0 O O36 1 0.20332400 0.10756700 0.21281600 1.0 O O37 1 0.79667600 0.89243300 0.78718400 1.0 O O38 1 0.12600900 0.90613300 0.09463900 1.0 O O39 1 0.87399100 0.09386700 0.90536100 1.0 O O40 1 0.06816100 0.61290700 0.39746100 1.0 O O41 1 0.93183900 0.38709300 0.60253900 1.0