# generated using pymatgen data_Ba8CuSi16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20924031 _cell_length_b 8.43367808 _cell_length_c 12.16464218 _cell_angle_alpha 88.74892399 _cell_angle_beta 91.69090248 _cell_angle_gamma 95.47395331 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8CuSi16 _chemical_formula_sum 'Ba8 Cu1 Si16' _cell_volume 735.78732390 _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 0.76878600 0.01613800 0.29933100 1.0 Ba Ba1 1 0.26409400 0.51086300 0.78859700 1.0 Ba Ba2 1 0.27102500 0.00261200 0.70670300 1.0 Ba Ba3 1 0.67601000 0.51872500 0.23124300 1.0 Ba Ba4 1 0.74227600 0.19633000 0.90643300 1.0 Ba Ba5 1 0.22360400 0.33656100 0.42706500 1.0 Ba Ba6 1 0.29371000 0.77179800 0.09464700 1.0 Ba Ba7 1 0.71171900 0.70567700 0.57953300 1.0 Cu Cu8 1 0.03024400 0.96887800 0.97655500 1.0 Si Si9 1 0.71797400 0.56870600 0.91362400 1.0 Si Si10 1 0.23106500 0.94541700 0.42879300 1.0 Si Si11 1 0.27216400 0.38386600 0.07492600 1.0 Si Si12 1 0.69249700 0.09961400 0.57839500 1.0 Si Si13 1 0.75749800 0.80871200 0.02696700 1.0 Si Si14 1 0.21838100 0.69204700 0.53294600 1.0 Si Si15 1 0.28424600 0.16443000 0.94870800 1.0 Si Si16 1 0.72939400 0.33626300 0.47523500 1.0 Si Si17 1 0.91630800 0.79023500 0.84014700 1.0 Si Si18 1 0.05671900 0.70072900 0.36032600 1.0 Si Si19 1 0.46111700 0.17084600 0.12604700 1.0 Si Si20 1 0.57486100 0.32576600 0.64600100 1.0 Si Si21 1 0.13398600 0.11105800 0.13576900 1.0 Si Si22 1 0.99276600 0.33382000 0.17936400 1.0 Si Si23 1 0.58680300 0.81358600 0.85503500 1.0 Si Si24 1 0.39275200 0.72732400 0.36761100 1.0