# generated using pymatgen data_Na6Cu2C4SO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87146522 _cell_length_b 9.87146522 _cell_length_c 9.87146522 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6Cu2C4SO16 _chemical_formula_sum 'Na12 Cu4 C8 S2 O32' _cell_volume 680.18940339 _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 0.96435800 0.96435800 0.53564200 1.0 Na Na1 1 0.71435800 0.71435800 0.28564200 1.0 Na Na2 1 0.53564200 0.96435800 0.96435800 1.0 Na Na3 1 0.28564200 0.71435800 0.71435800 1.0 Na Na4 1 0.53564200 0.96435800 0.53564200 1.0 Na Na5 1 0.28564200 0.71435800 0.28564200 1.0 Na Na6 1 0.96435800 0.53564200 0.96435800 1.0 Na Na7 1 0.96435800 0.53564200 0.53564200 1.0 Na Na8 1 0.71435800 0.28564200 0.71435800 1.0 Na Na9 1 0.71435800 0.28564200 0.28564200 1.0 Na Na10 1 0.53564200 0.53564200 0.96435800 1.0 Na Na11 1 0.28564200 0.28564200 0.71435800 1.0 Cu Cu12 1 0.12500000 0.62500000 0.12500000 1.0 Cu Cu13 1 0.12500000 0.12500000 0.12500000 1.0 Cu Cu14 1 0.12500000 0.12500000 0.62500000 1.0 Cu Cu15 1 0.62500000 0.12500000 0.12500000 1.0 C C16 1 0.90474000 0.90474000 0.28577900 1.0 C C17 1 0.90474000 0.90474000 0.90474000 1.0 C C18 1 0.90474000 0.28577900 0.90474000 1.0 C C19 1 0.96422100 0.34526000 0.34526000 1.0 C C20 1 0.34526000 0.96422100 0.34526000 1.0 C C21 1 0.28577900 0.90474000 0.90474000 1.0 C C22 1 0.34526000 0.34526000 0.96422100 1.0 C C23 1 0.34526000 0.34526000 0.34526000 1.0 S S24 1 0.75000000 0.75000000 0.75000000 1.0 S S25 1 0.50000000 0.50000000 0.50000000 1.0 O O26 1 0.02487000 0.76391700 0.28792700 1.0 O O27 1 0.93535700 0.68821400 0.68821400 1.0 O O28 1 0.92328600 0.76391700 0.02487000 1.0 O O29 1 0.02487000 0.92328600 0.76391700 1.0 O O30 1 0.68821400 0.68821400 0.93535700 1.0 O O31 1 0.68821400 0.68821400 0.68821400 1.0 O O32 1 0.92328600 0.02487000 0.28792700 1.0 O O33 1 0.76391700 0.92328600 0.28792700 1.0 O O34 1 0.68821400 0.93535700 0.68821400 1.0 O O35 1 0.02487000 0.28792700 0.92328600 1.0 O O36 1 0.96207300 0.22513000 0.48608300 1.0 O O37 1 0.76391700 0.02487000 0.92328600 1.0 O O38 1 0.92328600 0.28792700 0.76391700 1.0 O O39 1 0.96207300 0.32671400 0.22513000 1.0 O O40 1 0.28792700 0.76391700 0.92328600 1.0 O O41 1 0.48608300 0.96207300 0.22513000 1.0 O O42 1 0.96207300 0.48608300 0.32671400 1.0 O O43 1 0.76391700 0.28792700 0.02487000 1.0 O O44 1 0.28792700 0.92328600 0.02487000 1.0 O O45 1 0.32671400 0.96207300 0.48608300 1.0 O O46 1 0.48608300 0.22513000 0.32671400 1.0 O O47 1 0.28792700 0.02487000 0.76391700 1.0 O O48 1 0.22513000 0.96207300 0.32671400 1.0 O O49 1 0.56178600 0.31464300 0.56178600 1.0 O O50 1 0.48608300 0.32671400 0.96207300 1.0 O O51 1 0.32671400 0.22513000 0.96207300 1.0 O O52 1 0.56178600 0.56178600 0.56178600 1.0 O O53 1 0.56178600 0.56178600 0.31464300 1.0 O O54 1 0.22513000 0.32671400 0.48608300 1.0 O O55 1 0.32671400 0.48608300 0.22513000 1.0 O O56 1 0.31464300 0.56178600 0.56178600 1.0 O O57 1 0.22513000 0.48608300 0.96207300 1.0