# generated using pymatgen data_Zr6Be15Pd8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08849935 _cell_length_b 8.08850125 _cell_length_c 8.08849878 _cell_angle_alpha 59.99641493 _cell_angle_beta 59.99641964 _cell_angle_gamma 59.99641328 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Be15Pd8 _chemical_formula_sum 'Zr6 Be15 Pd8' _cell_volume 374.15680247 _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 Zr Zr0 1 0.70075022 0.29924815 0.29924786 1.0 Zr Zr1 1 0.29924941 0.70075182 0.70075258 1.0 Zr Zr2 1 0.29924835 0.70075049 0.29924817 1.0 Zr Zr3 1 0.70075163 0.29924998 0.70075178 1.0 Zr Zr4 1 0.29924790 0.29924781 0.70075037 1.0 Zr Zr5 1 0.70075194 0.70075186 0.29924951 1.0 Be Be6 1 0.32479997 0.32479909 0.32479992 1.0 Be Be7 1 0.67520028 0.67520049 0.67519991 1.0 Be Be8 1 0.32478941 0.32478992 0.02562261 1.0 Be Be9 1 0.32478975 0.02562253 0.32478923 1.0 Be Be10 1 0.67521072 0.67521069 0.97437700 1.0 Be Be11 1 0.67521065 0.97437751 0.67521040 1.0 Be Be12 1 0.02562251 0.32478974 0.32478925 1.0 Be Be13 1 0.97437748 0.67521085 0.67521024 1.0 Be Be14 1 0.50000127 -0.00000073 0.00000082 1.0 Be Be15 1 -0.00000169 0.50000030 0.50000052 1.0 Be Be16 1 -0.00000133 0.50000125 0.00000094 1.0 Be Be17 1 0.49999997 -0.00000032 0.49999890 1.0 Be Be18 1 -0.00000055 0.00000043 0.50000025 1.0 Be Be19 1 0.50000011 0.49999996 -0.00000020 1.0 Be Be20 1 -0.00000123 -0.00000047 0.00000090 1.0 Pd Pd21 1 0.12508133 0.12508085 0.12508100 1.0 Pd Pd22 1 0.87491971 0.87491846 0.87491920 1.0 Pd Pd23 1 0.12508062 0.12508036 0.62475362 1.0 Pd Pd24 1 0.12508182 0.62475314 0.12508310 1.0 Pd Pd25 1 0.87491815 0.87491917 0.37524703 1.0 Pd Pd26 1 0.87491959 0.37524654 0.87491831 1.0 Pd Pd27 1 0.62475358 0.12508118 0.12508028 1.0 Pd Pd28 1 0.37524642 0.87491893 0.87491848 1.0