# generated using pymatgen data_Sc6Al7Ni16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22140980 _cell_length_b 8.22140913 _cell_length_c 8.22140985 _cell_angle_alpha 60.00000495 _cell_angle_beta 60.00000764 _cell_angle_gamma 60.00000467 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Al7Ni16 _chemical_formula_sum 'Sc6 Al7 Ni16' _cell_volume 392.93789559 _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 Sc Sc0 1 0.21407018 0.78592982 0.78592982 1.0 Sc Sc1 1 0.21407018 0.78592982 0.21407018 1.0 Sc Sc2 1 0.78592982 0.21407018 0.21407018 1.0 Sc Sc3 1 0.78592982 0.21407018 0.78592982 1.0 Sc Sc4 1 0.78592982 0.78592982 0.21407018 1.0 Sc Sc5 1 0.21407018 0.21407018 0.78592982 1.0 Al Al6 1 0.00000000 0.00000000 0.50000000 1.0 Al Al7 1 0.50000000 0.00000000 0.50000000 1.0 Al Al8 1 0.50000000 0.50000000 0.50000000 1.0 Al Al9 1 0.00000000 0.50000000 0.00000000 1.0 Al Al10 1 0.50000000 0.50000000 0.00000000 1.0 Al Al11 1 0.50000000 0.00000000 0.00000000 1.0 Al Al12 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni13 1 0.37823687 0.37823687 0.37823687 1.0 Ni Ni14 1 0.51458353 0.82847182 0.82847182 1.0 Ni Ni15 1 0.62176313 0.62176313 0.13471260 1.0 Ni Ni16 1 0.17152818 0.17152818 0.48541647 1.0 Ni Ni17 1 0.82847182 0.82847182 0.51458353 1.0 Ni Ni18 1 0.17152818 0.17152818 0.17152818 1.0 Ni Ni19 1 0.82847182 0.82847182 0.82847182 1.0 Ni Ni20 1 0.37823687 0.37823687 0.86528740 1.0 Ni Ni21 1 0.82847182 0.51458353 0.82847182 1.0 Ni Ni22 1 0.62176313 0.62176313 0.62176313 1.0 Ni Ni23 1 0.37823687 0.86528740 0.37823687 1.0 Ni Ni24 1 0.13471260 0.62176313 0.62176313 1.0 Ni Ni25 1 0.62176313 0.13471260 0.62176313 1.0 Ni Ni26 1 0.17152818 0.48541647 0.17152818 1.0 Ni Ni27 1 0.86528740 0.37823687 0.37823687 1.0 Ni Ni28 1 0.48541647 0.17152818 0.17152818 1.0