# generated using pymatgen data_Ba4Cu3Si20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.34362496 _cell_length_b 10.34362754 _cell_length_c 10.34364734 _cell_angle_alpha 89.99996754 _cell_angle_beta 89.99998227 _cell_angle_gamma 89.99998272 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Cu3Si20 _chemical_formula_sum 'Ba8 Cu6 Si40' _cell_volume 1106.67307647 _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 Ba Ba0 1 0.00000084 0.99999890 0.99999881 1.0 Ba Ba1 1 0.49999880 0.50000117 0.50000106 1.0 Ba Ba2 1 0.25000877 0.99999860 0.50000164 1.0 Ba Ba3 1 0.74999099 0.99999841 0.50000169 1.0 Ba Ba4 1 0.49999855 0.24999649 0.99999830 1.0 Ba Ba5 1 0.49999854 0.75000352 0.99999811 1.0 Ba Ba6 1 0.00000108 0.50000131 0.24999513 1.0 Ba Ba7 1 0.00000123 0.50000151 0.75000494 1.0 Cu Cu8 1 0.25002597 0.50000161 -0.00000236 1.0 Cu Cu9 1 0.74997299 0.50000258 -0.00000277 1.0 Cu Cu10 1 0.00000679 0.24999212 0.50000348 1.0 Cu Cu11 1 0.00000611 0.75000793 0.50000320 1.0 Cu Cu12 1 0.49999503 -0.00000193 0.24997901 1.0 Cu Cu13 1 0.49999587 -0.00000290 0.75002145 1.0 Si Si14 1 0.00000033 0.11959485 0.31142738 1.0 Si Si15 1 0.00000028 0.88040424 0.68857273 1.0 Si Si16 1 0.00000021 0.88040417 0.31142758 1.0 Si Si17 1 0.00000041 0.11959494 0.68857271 1.0 Si Si18 1 0.31143088 -0.00000019 0.11959463 1.0 Si Si19 1 0.61959305 0.50000019 0.18857039 1.0 Si Si20 1 0.68856818 -0.00000035 0.88040415 1.0 Si Si21 1 0.38040513 0.50000011 0.81143007 1.0 Si Si22 1 0.31143126 -0.00000036 0.88040443 1.0 Si Si23 1 0.38040528 0.50000029 0.18856997 1.0 Si Si24 1 0.68856821 -0.00000020 0.11959480 1.0 Si Si25 1 0.61959308 0.50000014 0.81142940 1.0 Si Si26 1 0.11959969 0.31143174 -0.00000042 1.0 Si Si27 1 0.49999934 0.81143277 0.38040165 1.0 Si Si28 1 0.88040101 0.68856849 -0.00000021 1.0 Si Si29 1 0.49999942 0.18856684 0.61959929 1.0 Si Si30 1 0.11959995 0.68856803 -0.00000024 1.0 Si Si31 1 0.49999949 0.18856737 0.38040163 1.0 Si Si32 1 0.88040105 0.31143144 -0.00000036 1.0 Si Si33 1 0.49999949 0.81143287 0.61959931 1.0 Si Si34 1 0.18857266 0.61959735 0.50000040 1.0 Si Si35 1 0.81142785 0.38040319 0.50000031 1.0 Si Si36 1 0.18857302 0.38040383 0.50000021 1.0 Si Si37 1 0.81142771 0.61959736 0.50000018 1.0 Si Si38 1 0.18394929 0.18394259 0.18393765 1.0 Si Si39 1 0.81605106 0.81605776 0.81605805 1.0 Si Si40 1 0.81605073 0.81605770 0.18393991 1.0 Si Si41 1 0.81605080 0.18394189 0.81605982 1.0 Si Si42 1 0.68393661 0.68394643 0.31605371 1.0 Si Si43 1 0.18394953 0.18394230 0.81606200 1.0 Si Si44 1 0.18394928 0.81605724 0.18393773 1.0 Si Si45 1 0.31606137 0.31605492 0.68394798 1.0 Si Si46 1 0.18394939 0.81605724 0.81606206 1.0 Si Si47 1 0.31606254 0.31605653 0.31605115 1.0 Si Si48 1 0.81605086 0.18394196 0.18393980 1.0 Si Si49 1 0.68393805 0.68394548 0.68394772 1.0 Si Si50 1 0.68393799 0.31605463 0.68394779 1.0 Si Si51 1 0.31606116 0.68394526 0.31605240 1.0 Si Si52 1 0.31606261 0.68394381 0.68394904 1.0 Si Si53 1 0.68393821 0.31605486 0.31605250 1.0