# generated using pymatgen data_Ba5Mg18Si13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.52060782 _cell_length_b 14.52060300 _cell_length_c 4.49941209 _cell_angle_alpha 89.99999731 _cell_angle_beta 89.99999864 _cell_angle_gamma 120.00126285 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Mg18Si13 _chemical_formula_sum 'Ba5 Mg18 Si13' _cell_volume 821.58087994 _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 0.00000201 0.81953883 0.50000002 1.0 Ba Ba1 1 0.18045855 0.18045879 0.49999989 1.0 Ba Ba2 1 0.81953961 0.00000242 0.49999983 1.0 Ba Ba3 1 0.66666566 0.33333699 -0.00000020 1.0 Ba Ba4 1 0.33333769 0.66666628 -0.00000004 1.0 Mg Mg5 1 0.17730135 0.37236564 -0.00000003 1.0 Mg Mg6 1 0.80494472 0.62765742 0.00000001 1.0 Mg Mg7 1 0.37236579 0.17730180 -0.00000006 1.0 Mg Mg8 1 0.82270700 0.19505983 -0.00000010 1.0 Mg Mg9 1 0.19505974 0.82270760 0.00000013 1.0 Mg Mg10 1 0.27803091 0.00000061 0.49999983 1.0 Mg Mg11 1 0.72198285 0.72198271 0.49999992 1.0 Mg Mg12 1 0.00000038 0.27803162 0.49999998 1.0 Mg Mg13 1 0.87765507 0.51582909 0.50000007 1.0 Mg Mg14 1 0.63816880 0.12234346 0.50000051 1.0 Mg Mg15 1 0.48416700 0.36182566 0.49999942 1.0 Mg Mg16 1 0.36182535 0.48416634 0.50000086 1.0 Mg Mg17 1 0.12234436 0.63816992 0.50000055 1.0 Mg Mg18 1 0.51582986 0.87765528 0.49999990 1.0 Mg Mg19 1 0.44124187 -0.00004726 -0.00000016 1.0 Mg Mg20 1 0.55873076 0.55873070 -0.00000023 1.0 Mg Mg21 1 -0.00004761 0.44124186 -0.00000001 1.0 Mg Mg22 1 0.62765827 0.80494496 -0.00000004 1.0 Si Si23 1 0.30728156 0.83301724 0.49999996 1.0 Si Si24 1 0.47425725 0.16697863 0.49999993 1.0 Si Si25 1 0.69272414 0.52574817 0.50000000 1.0 Si Si26 1 0.52574849 0.69272377 0.49999999 1.0 Si Si27 1 0.16697814 0.47425724 0.50000000 1.0 Si Si28 1 0.00000191 0.00000197 -0.00000021 1.0 Si Si29 1 0.16626085 0.00000226 -0.00000005 1.0 Si Si30 1 0.83374849 0.83374838 -0.00000007 1.0 Si Si31 1 0.00000230 0.16626108 -0.00000009 1.0 Si Si32 1 0.62779849 0.00000506 0.00000014 1.0 Si Si33 1 0.37220500 0.37220489 0.00000018 1.0 Si Si34 1 0.00000493 0.62779829 0.00000018 1.0 Si Si35 1 0.83301843 0.30728246 0.50000000 1.0