# generated using pymatgen data_Sc3Fe5(Ni2P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63140604 _cell_length_b 10.35158477 _cell_length_c 12.00181243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Fe5(Ni2P3)2 _chemical_formula_sum 'Sc6 Fe10 Ni8 P12' _cell_volume 451.15782055 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52337210 1.0 Sc Sc1 1 0.50000000 0.00000000 0.47621358 1.0 Sc Sc2 1 0.50000000 0.82188960 0.20461934 1.0 Sc Sc3 1 0.50000000 0.17811040 0.20461934 1.0 Sc Sc4 1 0.00000000 0.67833107 0.79191262 1.0 Sc Sc5 1 0.00000000 0.32166893 0.79191262 1.0 Fe Fe6 1 0.50000000 0.50000000 0.16194692 1.0 Fe Fe7 1 0.00000000 0.00000000 0.83996941 1.0 Fe Fe8 1 0.00000000 0.50000000 0.98868692 1.0 Fe Fe9 1 0.50000000 0.00000000 0.01086394 1.0 Fe Fe10 1 0.50000000 0.33745343 0.99451854 1.0 Fe Fe11 1 0.50000000 0.66254657 0.99451854 1.0 Fe Fe12 1 0.00000000 0.16613018 0.00458887 1.0 Fe Fe13 1 0.00000000 0.83386982 0.00458887 1.0 Fe Fe14 1 0.50000000 0.29803218 0.43092881 1.0 Fe Fe15 1 0.50000000 0.70196782 0.43092881 1.0 Ni Ni16 1 0.50000000 0.50000000 0.70102056 1.0 Ni Ni17 1 0.00000000 0.00000000 0.29866879 1.0 Ni Ni18 1 0.00000000 0.19848533 0.57119471 1.0 Ni Ni19 1 0.00000000 0.80151467 0.57119471 1.0 Ni Ni20 1 0.50000000 0.87611684 0.71082698 1.0 Ni Ni21 1 0.50000000 0.12388316 0.71082698 1.0 Ni Ni22 1 0.00000000 0.62337535 0.28971547 1.0 Ni Ni23 1 0.00000000 0.37662465 0.28971547 1.0 P P24 1 0.50000000 0.50000000 0.87565806 1.0 P P25 1 0.00000000 0.00000000 0.12063799 1.0 P P26 1 0.50000000 0.50000000 0.35427162 1.0 P P27 1 0.00000000 0.00000000 0.64890303 1.0 P P28 1 0.50000000 0.31828982 0.61500813 1.0 P P29 1 0.50000000 0.68171018 0.61500813 1.0 P P30 1 0.00000000 0.18507390 0.38360624 1.0 P P31 1 0.00000000 0.81492610 0.38360624 1.0 P P32 1 0.50000000 0.83816252 0.89306273 1.0 P P33 1 0.50000000 0.16183748 0.89306273 1.0 P P34 1 0.00000000 0.66111241 0.10991261 1.0 P P35 1 0.00000000 0.33888759 0.10991261 1.0