# generated using pymatgen data_Rb2MgCu4H5(SO5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.10177319 _cell_length_b 6.46259618 _cell_length_c 8.32599693 _cell_angle_alpha 91.65650258 _cell_angle_beta 66.91498209 _cell_angle_gamma 53.77600233 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2MgCu4H5(SO5)4 _chemical_formula_sum 'Rb2 Mg1 Cu4 H5 S4 O20' _cell_volume 452.46219018 _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 Rb Rb0 1 0.93596243 0.56388171 0.51554161 1.0 Rb Rb1 1 0.53837475 0.46217530 0.49641160 1.0 Mg Mg2 1 0.28211566 0.51863712 0.20830474 1.0 Cu Cu3 1 0.24507165 0.01079907 0.01492993 1.0 Cu Cu4 1 0.19623791 0.50035061 0.85433873 1.0 Cu Cu5 1 0.74607017 0.99652336 0.98841564 1.0 Cu Cu6 1 0.74918031 0.50118946 0.99409407 1.0 H H7 1 0.13955150 0.21265671 0.82396434 1.0 H H8 1 0.38565052 0.78324675 0.18828882 1.0 H H9 1 0.50116202 0.53836202 0.00216181 1.0 H H10 1 0.73416742 0.26276471 0.78631113 1.0 H H11 1 0.92169140 0.55716061 0.02735211 1.0 S S12 1 0.40663884 0.09584092 0.33431840 1.0 S S13 1 0.08415596 0.89025384 0.68519034 1.0 S S14 1 0.95324682 0.04478992 0.27324238 1.0 S S15 1 0.52545388 0.99878142 0.79130736 1.0 O O16 1 0.04575128 0.14217293 0.23125844 1.0 O O17 1 0.07579869 0.73409224 0.20544562 1.0 O O18 1 0.27528276 0.22512342 0.28754365 1.0 O O19 1 0.34176012 0.16042771 0.53478182 1.0 O O20 1 0.12625049 0.30595859 0.93367132 1.0 O O21 1 0.37860876 0.69274975 0.09863181 1.0 O O22 1 0.17817480 0.78488059 0.47939540 1.0 O O23 1 0.48272410 0.21558445 0.25438136 1.0 O O24 1 0.19726452 0.77583804 0.76095380 1.0 O O25 1 0.38970634 0.30161591 0.91417399 1.0 O O26 1 0.51847562 0.78982227 0.23857154 1.0 O O27 1 0.86463938 0.12815318 0.17392020 1.0 O O28 1 0.45274191 0.86842753 0.80569278 1.0 O O29 1 0.84737820 0.15578514 0.47716648 1.0 O O30 1 0.67770877 0.32452869 0.92320036 1.0 O O31 1 0.80895216 0.68780827 0.05871373 1.0 O O32 1 0.60792865 0.97119529 0.59834541 1.0 O O33 1 0.63479213 0.86843610 0.86616671 1.0 O O34 1 0.97901312 0.19566419 0.75535587 1.0 O O35 1 0.99255596 0.79682221 0.75439472 1.0