# generated using pymatgen data_Sc4Nb2Si7Ni16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.97356711 _cell_length_b 7.98389912 _cell_length_c 7.97356646 _cell_angle_alpha 59.95712204 _cell_angle_beta 60.18381836 _cell_angle_gamma 59.95712328 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Nb2Si7Ni16 _chemical_formula_sum 'Sc4 Nb2 Si7 Ni16' _cell_volume 359.18852830 _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 0.79361365 0.79119832 0.20638635 1.0 Sc Sc1 1 0.79902568 0.20282367 0.79532697 1.0 Sc Sc2 1 0.20467303 0.79717633 0.20097432 1.0 Sc Sc3 1 0.79361365 0.20880168 0.20638635 1.0 Nb Nb4 1 0.20652032 0.79787695 0.79347968 1.0 Nb Nb5 1 0.20652032 0.20212305 0.79347968 1.0 Si Si6 1 0.50664960 0.50000000 0.49335040 1.0 Si Si7 1 0.49823581 0.00000000 0.50176419 1.0 Si Si8 1 0.00422547 0.50000000 0.99577453 1.0 Si Si9 1 0.00112548 0.99743711 0.50263650 1.0 Si Si10 1 0.49736350 0.00256289 0.99887452 1.0 Si Si11 1 0.00112548 0.49880091 0.50263650 1.0 Si Si12 1 0.49736350 0.50119909 0.99887452 1.0 Ni Ni13 1 0.16835389 0.16946176 0.49272359 1.0 Ni Ni14 1 0.49099149 0.16971211 0.16958629 1.0 Ni Ni15 1 0.16781510 0.16904129 0.16914728 1.0 Ni Ni16 1 0.50727641 0.83053824 0.83164611 1.0 Ni Ni17 1 0.83085272 0.83095871 0.83218490 1.0 Ni Ni18 1 0.83041371 0.83028789 0.50900851 1.0 Ni Ni19 1 0.16781510 0.49399733 0.16914728 1.0 Ni Ni20 1 0.61444063 0.14502730 0.62067154 1.0 Ni Ni21 1 0.38034103 0.38445673 0.85074451 1.0 Ni Ni22 1 0.85952190 0.37969893 0.38108124 1.0 Ni Ni23 1 0.37932846 0.38013946 0.38555937 1.0 Ni Ni24 1 0.14925549 0.61554327 0.61965897 1.0 Ni Ni25 1 0.61444063 0.61986054 0.62067154 1.0 Ni Ni26 1 0.61891876 0.62030107 0.14047810 1.0 Ni Ni27 1 0.37932846 0.85497270 0.38555937 1.0 Ni Ni28 1 0.83085272 0.50600267 0.83218490 1.0