# generated using pymatgen data_Sc5Si7Ni16W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.98809303 _cell_length_b 7.98809268 _cell_length_c 7.95294588 _cell_angle_alpha 60.14544512 _cell_angle_beta 60.14544656 _cell_angle_gamma 59.70911302 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Si7Ni16W _chemical_formula_sum 'Sc5 Si7 Ni16 W1' _cell_volume 358.82484912 _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 0.30014464 0.70518261 0.29481739 1.0 Sc Sc1 1 0.70518261 0.30014464 0.29481739 1.0 Sc Sc2 1 0.28650526 0.28650526 0.71349474 1.0 Sc Sc3 1 0.70518261 0.30014464 0.69985536 1.0 Sc Sc4 1 0.30014464 0.70518261 0.69985536 1.0 Si Si5 1 0.00541777 0.00541777 0.99458223 1.0 Si Si6 1 0.99833685 0.99833685 0.50166315 1.0 Si Si7 1 0.50615498 0.99475413 0.49384502 1.0 Si Si8 1 0.99475413 0.50615498 0.49384502 1.0 Si Si9 1 0.49833685 0.49833685 0.00166315 1.0 Si Si10 1 0.99475413 0.50615498 0.00524587 1.0 Si Si11 1 0.50615498 0.99475413 0.00524587 1.0 Ni Ni12 1 0.88079274 0.88079274 0.35157296 1.0 Ni Ni13 1 0.87884167 0.35906164 0.88104784 1.0 Ni Ni14 1 0.35906164 0.87884167 0.88104784 1.0 Ni Ni15 1 0.88079274 0.88079274 0.88684156 1.0 Ni Ni16 1 0.11895216 0.11895216 0.64093836 1.0 Ni Ni17 1 0.11315844 0.64842704 0.11920726 1.0 Ni Ni18 1 0.64842704 0.11315844 0.11920726 1.0 Ni Ni19 1 0.11895216 0.11895216 0.12115833 1.0 Ni Ni20 1 0.66862625 0.66862625 0.99226545 1.0 Ni Ni21 1 0.66777600 0.99193946 0.67014127 1.0 Ni Ni22 1 0.99193946 0.66777600 0.67014127 1.0 Ni Ni23 1 0.66862625 0.66862625 0.67048204 1.0 Ni Ni24 1 0.32985873 0.32985873 0.00806054 1.0 Ni Ni25 1 0.32951796 0.00773455 0.33137375 1.0 Ni Ni26 1 0.00773455 0.32951796 0.33137375 1.0 Ni Ni27 1 0.32985873 0.32985873 0.33222400 1.0 W W28 1 0.70601601 0.70601601 0.29398399 1.0