# generated using pymatgen data_Ac11Pr(Si7I3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.29745215 _cell_length_b 12.70027395 _cell_length_c 17.78132231 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac11Pr(Si7I3)2 _chemical_formula_sum 'Ac11 Pr1 Si14 I6' _cell_volume 970.48358237 _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 Ac Ac0 1 0.50000000 0.35010543 0.50000000 1.0 Ac Ac1 1 0.00000000 0.64939667 0.00000000 1.0 Ac Ac2 1 0.50000000 0.36455559 0.75453387 1.0 Ac Ac3 1 0.00000000 0.63654547 0.74074683 1.0 Ac Ac4 1 0.50000000 0.36455559 0.24546613 1.0 Ac Ac5 1 0.00000000 0.63654547 0.25925317 1.0 Ac Ac6 1 0.50000000 0.08287036 0.88252548 1.0 Ac Ac7 1 0.00000000 0.91550966 0.61650807 1.0 Ac Ac8 1 0.50000000 0.08287036 0.11747452 1.0 Ac Ac9 1 0.00000000 0.91550966 0.38349193 1.0 Ac Ac10 1 0.50000000 0.36600816 0.00000000 1.0 Pr Pr11 1 0.00000000 0.63596299 0.50000000 1.0 Si Si12 1 0.00000000 0.16996046 0.00000000 1.0 Si Si13 1 0.50000000 0.82746208 0.50000000 1.0 Si Si14 1 0.50000000 0.55912516 0.87564155 1.0 Si Si15 1 0.00000000 0.44470615 0.61974550 1.0 Si Si16 1 0.50000000 0.55912516 0.12435845 1.0 Si Si17 1 0.00000000 0.44470615 0.38025450 1.0 Si Si18 1 0.00000000 0.26779839 0.87775859 1.0 Si Si19 1 0.50000000 0.73050173 0.61859111 1.0 Si Si20 1 0.00000000 0.26779839 0.12224141 1.0 Si Si21 1 0.50000000 0.73050173 0.38140889 1.0 Si Si22 1 0.00000000 0.45964791 0.87445342 1.0 Si Si23 1 0.50000000 0.54160001 0.62024873 1.0 Si Si24 1 0.50000000 0.54160001 0.37975127 1.0 Si Si25 1 0.00000000 0.45964791 0.12554658 1.0 I I26 1 0.50000000 0.10930205 0.68907714 1.0 I I27 1 0.00000000 0.88896686 0.80993638 1.0 I I28 1 0.00000000 0.13337443 0.50000000 1.0 I I29 1 0.50000000 0.86547208 0.00000000 1.0 I I30 1 0.50000000 0.10930205 0.31092286 1.0 I I31 1 0.00000000 0.88896686 0.19006362 1.0