# generated using pymatgen data_Na6Fe2B4SO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00670930 _cell_length_b 10.00670930 _cell_length_c 10.00670930 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6Fe2B4SO16 _chemical_formula_sum 'Na12 Fe4 B8 S2 O32' _cell_volume 708.53099275 _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 0.21799700 0.21799700 0.78200300 1.0 Na Na1 1 0.78200300 0.21799700 0.21799700 1.0 Na Na2 1 0.78200300 0.21799700 0.78200300 1.0 Na Na3 1 0.21799700 0.78200300 0.21799700 1.0 Na Na4 1 0.46799700 0.46799700 0.03200300 1.0 Na Na5 1 0.03200300 0.46799700 0.46799700 1.0 Na Na6 1 0.21799700 0.78200300 0.78200300 1.0 Na Na7 1 0.78200300 0.78200300 0.21799700 1.0 Na Na8 1 0.03200300 0.46799700 0.03200300 1.0 Na Na9 1 0.46799700 0.03200300 0.46799700 1.0 Na Na10 1 0.03200300 0.03200300 0.46799700 1.0 Na Na11 1 0.46799700 0.03200300 0.03200300 1.0 Fe Fe12 1 0.62500000 0.12500000 0.62500000 1.0 Fe Fe13 1 0.62500000 0.62500000 0.12500000 1.0 Fe Fe14 1 0.12500000 0.62500000 0.62500000 1.0 Fe Fe15 1 0.62500000 0.62500000 0.62500000 1.0 B B16 1 0.41237400 0.41237400 0.41237400 1.0 B B17 1 0.76287800 0.41237400 0.41237400 1.0 B B18 1 0.41237400 0.41237400 0.76287800 1.0 B B19 1 0.41237400 0.76287800 0.41237400 1.0 B B20 1 0.83762600 0.48712200 0.83762600 1.0 B B21 1 0.83762600 0.83762600 0.48712200 1.0 B B22 1 0.48712200 0.83762600 0.83762600 1.0 B B23 1 0.83762600 0.83762600 0.83762600 1.0 S S24 1 0.25000000 0.25000000 0.25000000 1.0 S S25 1 0.00000000 0.00000000 0.00000000 1.0 O O26 1 0.18894800 0.18894800 0.18894800 1.0 O O27 1 0.18894800 0.18894800 0.43315600 1.0 O O28 1 0.43315600 0.18894800 0.18894800 1.0 O O29 1 0.18894800 0.43315600 0.18894800 1.0 O O30 1 0.44027800 0.26087500 0.53130500 1.0 O O31 1 0.53130500 0.44027800 0.26087500 1.0 O O32 1 0.76754200 0.26087500 0.44027800 1.0 O O33 1 0.26087500 0.53130500 0.44027800 1.0 O O34 1 0.53130500 0.26087500 0.76754200 1.0 O O35 1 0.26087500 0.44027800 0.76754200 1.0 O O36 1 0.76754200 0.53130500 0.26087500 1.0 O O37 1 0.76754200 0.44027800 0.53130500 1.0 O O38 1 0.44027800 0.76754200 0.26087500 1.0 O O39 1 0.44027800 0.53130500 0.76754200 1.0 O O40 1 0.26087500 0.76754200 0.53130500 1.0 O O41 1 0.71869500 0.48245800 0.80972200 1.0 O O42 1 0.53130500 0.76754200 0.44027800 1.0 O O43 1 0.98912500 0.48245800 0.71869500 1.0 O O44 1 0.80972200 0.71869500 0.48245800 1.0 O O45 1 0.80972200 0.48245800 0.98912500 1.0 O O46 1 0.48245800 0.80972200 0.71869500 1.0 O O47 1 0.48245800 0.71869500 0.98912500 1.0 O O48 1 0.98912500 0.80972200 0.48245800 1.0 O O49 1 0.71869500 0.98912500 0.48245800 1.0 O O50 1 0.98912500 0.71869500 0.80972200 1.0 O O51 1 0.48245800 0.98912500 0.80972200 1.0 O O52 1 0.71869500 0.80972200 0.98912500 1.0 O O53 1 0.80972200 0.98912500 0.71869500 1.0 O O54 1 0.06105200 0.81684400 0.06105200 1.0 O O55 1 0.81684400 0.06105200 0.06105200 1.0 O O56 1 0.06105200 0.06105200 0.81684400 1.0 O O57 1 0.06105200 0.06105200 0.06105200 1.0