# generated using pymatgen data_Zr6Al16Tc4Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71063192 _cell_length_b 8.71063236 _cell_length_c 8.87817387 _cell_angle_alpha 59.36167374 _cell_angle_beta 59.36167203 _cell_angle_gamma 61.27665621 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al16Tc4Pd3 _chemical_formula_sum 'Zr6 Al16 Tc4 Pd3' _cell_volume 475.97068580 _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 0.68256816 0.68256816 0.31743184 1.0 Zr Zr1 1 0.28853375 0.71146625 0.28853375 1.0 Zr Zr2 1 0.71146625 0.28853375 0.28853375 1.0 Zr Zr3 1 0.31743184 0.31743184 0.68256816 1.0 Zr Zr4 1 0.71146625 0.28853375 0.71146625 1.0 Zr Zr5 1 0.28853375 0.71146625 0.71146625 1.0 Al Al6 1 0.87452099 0.87452099 0.36370002 1.0 Al Al7 1 0.88726001 0.36370002 0.87452099 1.0 Al Al8 1 0.36370002 0.88726001 0.87452099 1.0 Al Al9 1 0.87452099 0.87452099 0.88726001 1.0 Al Al10 1 0.12547901 0.12547901 0.63629998 1.0 Al Al11 1 0.11273999 0.63629998 0.12547901 1.0 Al Al12 1 0.63629998 0.11273999 0.12547901 1.0 Al Al13 1 0.12547901 0.12547901 0.11273999 1.0 Al Al14 1 0.66322024 0.66322024 0.01084327 1.0 Al Al15 1 0.66271624 0.01084327 0.66322024 1.0 Al Al16 1 0.01084327 0.66271624 0.66322024 1.0 Al Al17 1 0.66322024 0.66322024 0.66271624 1.0 Al Al18 1 0.33677976 0.33677976 0.98915673 1.0 Al Al19 1 0.33728376 0.98915673 0.33677976 1.0 Al Al20 1 0.98915673 0.33728376 0.33677976 1.0 Al Al21 1 0.33677976 0.33677976 0.33728376 1.0 Tc Tc22 1 0.50000000 0.00000000 0.50000000 1.0 Tc Tc23 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc24 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc25 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd26 1 0.00000000 0.00000000 0.00000000 1.0 Pd Pd27 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd28 1 0.50000000 0.50000000 0.00000000 1.0