# generated using pymatgen data_Na4Al3Si3ClO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86659250 _cell_length_b 8.86659250 _cell_length_c 8.86659250 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4Al3Si3ClO12 _chemical_formula_sum 'Na8 Al6 Si6 Cl2 O24' _cell_volume 697.06013732 _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 0.32200688 0.32200688 0.67799312 1.0 Na Na1 1 0.67799312 0.32200688 0.32200688 1.0 Na Na2 1 0.67799312 0.67799312 0.67799312 1.0 Na Na3 1 0.17799312 0.17799312 0.17799312 1.0 Na Na4 1 0.17799312 0.82200688 0.82200688 1.0 Na Na5 1 0.82200688 0.82200688 0.17799312 1.0 Na Na6 1 0.32200688 0.67799312 0.32200688 1.0 Na Na7 1 0.82200688 0.17799312 0.82200688 1.0 Al Al8 1 0.50000000 0.75000000 0.00000000 1.0 Al Al9 1 0.25000000 0.00000000 0.50000000 1.0 Al Al10 1 -0.00000000 0.50000000 0.25000000 1.0 Al Al11 1 0.50000000 0.25000000 0.00000000 1.0 Al Al12 1 -0.00000000 0.50000000 0.75000000 1.0 Al Al13 1 0.75000000 0.00000000 0.50000000 1.0 Si Si14 1 0.50000000 0.00000000 0.25000000 1.0 Si Si15 1 -0.00000000 0.25000000 0.50000000 1.0 Si Si16 1 0.25000000 0.50000000 0.00000000 1.0 Si Si17 1 -0.00000000 0.75000000 0.50000000 1.0 Si Si18 1 0.50000000 0.00000000 0.75000000 1.0 Si Si19 1 0.75000000 0.50000000 0.00000000 1.0 Cl Cl20 1 0.50000000 0.50000000 0.50000000 1.0 Cl Cl21 1 -0.00000000 0.00000000 0.00000000 1.0 O O22 1 0.36116784 0.06400516 0.64895023 1.0 O O23 1 0.86116784 0.85104977 0.43599484 1.0 O O24 1 0.64895023 0.36116784 0.06400516 1.0 O O25 1 0.43599484 0.13883216 0.14895023 1.0 O O26 1 0.13883216 0.85104977 0.56400516 1.0 O O27 1 0.06400516 0.35104977 0.63883216 1.0 O O28 1 0.63883216 0.93599484 0.64895023 1.0 O O29 1 0.13883216 0.14895023 0.43599484 1.0 O O30 1 0.56400516 0.86116784 0.14895023 1.0 O O31 1 0.64895023 0.63883216 0.93599484 1.0 O O32 1 0.36116784 0.93599484 0.35104977 1.0 O O33 1 0.14895023 0.56400516 0.86116784 1.0 O O34 1 0.35104977 0.63883216 0.06400516 1.0 O O35 1 0.14895023 0.43599484 0.13883216 1.0 O O36 1 0.06400516 0.64895023 0.36116784 1.0 O O37 1 0.56400516 0.13883216 0.85104977 1.0 O O38 1 0.93599484 0.64895023 0.63883216 1.0 O O39 1 0.86116784 0.14895023 0.56400516 1.0 O O40 1 0.85104977 0.43599484 0.86116784 1.0 O O41 1 0.93599484 0.35104977 0.36116784 1.0 O O42 1 0.85104977 0.56400516 0.13883216 1.0 O O43 1 0.35104977 0.36116784 0.93599484 1.0 O O44 1 0.63883216 0.06400516 0.35104977 1.0 O O45 1 0.43599484 0.86116784 0.85104977 1.0