# generated using pymatgen data_Ba13Ac7Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67127867 _cell_length_b 8.67886299 _cell_length_c 16.30983255 _cell_angle_alpha 90.19636512 _cell_angle_beta 90.04495748 _cell_angle_gamma 90.04064711 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba13Ac7Si16 _chemical_formula_sum 'Ba13 Ac7 Si16' _cell_volume 1227.41855421 _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 0.30564131 0.30263107 0.99597551 1.0 Ba Ba1 1 0.18868492 0.81181220 0.25097369 1.0 Ba Ba2 1 0.81610052 0.18584345 0.75375609 1.0 Ba Ba3 1 0.68848097 0.69024804 0.49924670 1.0 Ba Ba4 1 0.37209019 0.01335937 0.45640073 1.0 Ba Ba5 1 0.48725853 0.87649650 0.70397860 1.0 Ba Ba6 1 0.50967614 0.12603074 0.20531768 1.0 Ba Ba7 1 0.87243274 0.48873879 0.29501708 1.0 Ba Ba8 1 0.12782258 0.51391764 0.79268204 1.0 Ba Ba9 1 0.62900485 0.98553822 0.95662764 1.0 Ba Ba10 1 0.01092217 0.37458481 0.54485996 1.0 Ba Ba11 1 0.99014090 0.62715413 0.04636824 1.0 Ba Ba12 1 0.12901997 0.98232594 0.87444021 1.0 Ac Ac13 1 0.51210190 0.62312166 0.12733701 1.0 Ac Ac14 1 0.49054264 0.37420039 0.62285383 1.0 Ac Ac15 1 0.62729144 0.51214311 0.87485143 1.0 Ac Ac16 1 0.37147706 0.48739806 0.37528546 1.0 Ac Ac17 1 0.87248651 0.01303706 0.37495965 1.0 Ac Ac18 1 0.98549521 0.12942891 0.12612756 1.0 Ac Ac19 1 0.01116350 0.87541503 0.62383368 1.0 Si Si20 1 0.21687787 0.16201402 0.69342734 1.0 Si Si21 1 0.35092618 0.70648273 0.95403240 1.0 Si Si22 1 0.65567182 0.28590553 0.44667706 1.0 Si Si23 1 0.71029346 0.34585116 0.05422420 1.0 Si Si24 1 0.28621401 0.65795145 0.55151304 1.0 Si Si25 1 0.78656819 0.84549098 0.19887143 1.0 Si Si26 1 0.15417400 0.21355803 0.30240265 1.0 Si Si27 1 0.83500013 0.78348832 0.79684890 1.0 Si Si28 1 0.28649088 0.90159175 0.05689398 1.0 Si Si29 1 0.59340485 0.77990399 0.30301635 1.0 Si Si30 1 0.41344478 0.22748405 0.79722993 1.0 Si Si31 1 0.77608172 0.58900817 0.69521874 1.0 Si Si32 1 0.21906148 0.40678354 0.19842327 1.0 Si Si33 1 0.72269251 0.09345623 0.55135474 1.0 Si Si34 1 0.90328969 0.28600638 0.95103519 1.0 Si Si35 1 0.09197735 0.72159755 0.44793899 1.0