# generated using pymatgen data_Ac6Si7Br3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30009518 _cell_length_b 12.27559181 _cell_length_c 17.58987364 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac6Si7Br3 _chemical_formula_sum 'Ac12 Si14 Br6' _cell_volume 928.50281816 _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 Ac Ac0 1 0.50000000 0.34395907 0.50000000 1.0 Ac Ac1 1 0.00000000 0.65604093 0.00000000 1.0 Ac Ac2 1 0.50000000 0.35732198 0.75551494 1.0 Ac Ac3 1 0.00000000 0.64267802 0.74448506 1.0 Ac Ac4 1 0.50000000 0.35732198 0.24448506 1.0 Ac Ac5 1 0.00000000 0.64267802 0.25551494 1.0 Ac Ac6 1 0.50000000 0.06661561 0.88110458 1.0 Ac Ac7 1 0.00000000 0.93338439 0.61889542 1.0 Ac Ac8 1 0.50000000 0.06661561 0.11889542 1.0 Ac Ac9 1 0.00000000 0.93338439 0.38110458 1.0 Ac Ac10 1 0.50000000 0.35884804 0.00000000 1.0 Ac Ac11 1 0.00000000 0.64115196 0.50000000 1.0 Si Si12 1 0.00000000 0.15588116 0.00000000 1.0 Si Si13 1 0.50000000 0.84411884 0.50000000 1.0 Si Si14 1 0.50000000 0.56023378 0.87693559 1.0 Si Si15 1 0.00000000 0.43976622 0.62306441 1.0 Si Si16 1 0.50000000 0.56023378 0.12306441 1.0 Si Si17 1 0.00000000 0.43976622 0.37693559 1.0 Si Si18 1 0.00000000 0.25723247 0.87779899 1.0 Si Si19 1 0.50000000 0.74276753 0.62220101 1.0 Si Si20 1 0.00000000 0.25723247 0.12220101 1.0 Si Si21 1 0.50000000 0.74276753 0.37779899 1.0 Si Si22 1 0.00000000 0.45745333 0.87535544 1.0 Si Si23 1 0.50000000 0.54254667 0.62464456 1.0 Si Si24 1 0.50000000 0.54254667 0.37535544 1.0 Si Si25 1 0.00000000 0.45745333 0.12464456 1.0 Br Br26 1 0.50000000 0.10672507 0.69343925 1.0 Br Br27 1 0.00000000 0.89327493 0.80656075 1.0 Br Br28 1 0.00000000 0.13779393 0.50000000 1.0 Br Br29 1 0.50000000 0.86220607 0.00000000 1.0 Br Br30 1 0.50000000 0.10672507 0.30656075 1.0 Br Br31 1 0.00000000 0.89327493 0.19343925 1.0