# generated using pymatgen data_BaAc11Si12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15705839 _cell_length_b 14.34017795 _cell_length_c 11.73028070 _cell_angle_alpha 90.00502021 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaAc11Si12 _chemical_formula_sum 'Ba1 Ac11 Si12' _cell_volume 699.27671722 _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 Ba Ba0 1 0.75000000 0.50013378 0.64593246 1.0 Ac Ac1 1 0.25000000 0.66827780 0.86068650 1.0 Ac Ac2 1 0.25000000 0.83590688 0.35616082 1.0 Ac Ac3 1 0.75000000 0.33267854 0.14326667 1.0 Ac Ac4 1 0.75000000 0.16569559 0.64141304 1.0 Ac Ac5 1 0.25000000 0.33162280 0.86100912 1.0 Ac Ac6 1 0.25000000 0.16414960 0.35653355 1.0 Ac Ac7 1 0.75000000 0.66737814 0.14297377 1.0 Ac Ac8 1 0.75000000 0.83418030 0.64105587 1.0 Ac Ac9 1 0.25000000 0.00005688 0.85838316 1.0 Ac Ac10 1 0.25000000 0.49993244 0.36273192 1.0 Ac Ac11 1 0.75000000 0.99993735 0.13890570 1.0 Si Si12 1 0.25000000 0.32885693 0.55866470 1.0 Si Si13 1 0.25000000 0.16706171 0.06153288 1.0 Si Si14 1 0.75000000 0.67046652 0.43272082 1.0 Si Si15 1 0.75000000 0.83351141 0.93656617 1.0 Si Si16 1 0.25000000 0.67120107 0.55794906 1.0 Si Si17 1 0.25000000 0.83292067 0.06094907 1.0 Si Si18 1 0.75000000 0.32954008 0.43342136 1.0 Si Si19 1 0.75000000 0.16650752 0.93712476 1.0 Si Si20 1 0.25000000 0.99997823 0.56289469 1.0 Si Si21 1 0.25000000 0.50001308 0.06779991 1.0 Si Si22 1 0.75000000 0.00001651 0.43649396 1.0 Si Si23 1 0.75000000 0.49997718 0.94483104 1.0