# generated using pymatgen data_Si2Ni5P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91299900 _cell_length_b 5.94242900 _cell_length_c 34.27215900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Ni5P3 _chemical_formula_sum 'Si16 Ni40 P24' _cell_volume 1000.58074519 _cell_formula_units_Z 8 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 Si Si0 1 0.69591100 0.41766700 0.12379400 1.0 Si Si1 1 0.80408900 0.91766700 0.87620600 1.0 Si Si2 1 0.80408900 0.41766700 0.62379400 1.0 Si Si3 1 0.21952300 0.09011400 0.22698500 1.0 Si Si4 1 0.21952300 0.59011400 0.27301500 1.0 Si Si5 1 0.19591100 0.08233300 0.12379400 1.0 Si Si6 1 0.69591100 0.91766700 0.37620600 1.0 Si Si7 1 0.28047700 0.59011400 0.77301500 1.0 Si Si8 1 0.19591100 0.58233300 0.37620600 1.0 Si Si9 1 0.78047700 0.90988600 0.77301500 1.0 Si Si10 1 0.78047700 0.40988600 0.72698500 1.0 Si Si11 1 0.30408900 0.58233300 0.87620600 1.0 Si Si12 1 0.71952300 0.40988600 0.22698500 1.0 Si Si13 1 0.71952300 0.90988600 0.27301500 1.0 Si Si14 1 0.30408900 0.08233300 0.62379400 1.0 Si Si15 1 0.28047700 0.09011400 0.72698500 1.0 Ni Ni16 1 0.00466500 0.19916300 0.67380000 1.0 Ni Ni17 1 0.51155000 0.30061300 0.97597400 1.0 Ni Ni18 1 0.49202100 0.70519900 0.62802700 1.0 Ni Ni19 1 0.99202100 0.79480100 0.62802700 1.0 Ni Ni20 1 0.49981500 0.71810100 0.71906100 1.0 Ni Ni21 1 0.01155000 0.19938700 0.97597400 1.0 Ni Ni22 1 0.99202100 0.29480100 0.87197300 1.0 Ni Ni23 1 0.49872200 0.78880600 0.43218000 1.0 Ni Ni24 1 0.00797900 0.70519900 0.12802700 1.0 Ni Ni25 1 0.49533500 0.69916300 0.32620000 1.0 Ni Ni26 1 0.48845000 0.19938700 0.47597400 1.0 Ni Ni27 1 0.49872200 0.28880600 0.06782000 1.0 Ni Ni28 1 0.00018500 0.71810100 0.21906100 1.0 Ni Ni29 1 0.50466500 0.30083700 0.67380000 1.0 Ni Ni30 1 0.50127800 0.21119400 0.56782000 1.0 Ni Ni31 1 0.01155000 0.69938700 0.52402600 1.0 Ni Ni32 1 0.00018500 0.21810100 0.28093900 1.0 Ni Ni33 1 0.98845000 0.30061300 0.47597400 1.0 Ni Ni34 1 0.99533500 0.30083700 0.17380000 1.0 Ni Ni35 1 0.49981500 0.21810100 0.78093900 1.0 Ni Ni36 1 0.48845000 0.69938700 0.02402600 1.0 Ni Ni37 1 0.99981500 0.28189900 0.78093900 1.0 Ni Ni38 1 0.50018500 0.28189900 0.28093900 1.0 Ni Ni39 1 0.49202100 0.20519900 0.87197300 1.0 Ni Ni40 1 0.50797900 0.79480100 0.12802700 1.0 Ni Ni41 1 0.99981500 0.78189900 0.71906100 1.0 Ni Ni42 1 0.00127800 0.78880600 0.93218000 1.0 Ni Ni43 1 0.00127800 0.28880600 0.56782000 1.0 Ni Ni44 1 0.99872200 0.71119400 0.43218000 1.0 Ni Ni45 1 0.50127800 0.71119400 0.93218000 1.0 Ni Ni46 1 0.50018500 0.78189900 0.21906100 1.0 Ni Ni47 1 0.50466500 0.80083700 0.82620000 1.0 Ni Ni48 1 0.98845000 0.80061300 0.02402600 1.0 Ni Ni49 1 0.49533500 0.19916300 0.17380000 1.0 Ni Ni50 1 0.99533500 0.80083700 0.32620000 1.0 Ni Ni51 1 0.00797900 0.20519900 0.37197300 1.0 Ni Ni52 1 0.99872200 0.21119400 0.06782000 1.0 Ni Ni53 1 0.51155000 0.80061300 0.52402600 1.0 Ni Ni54 1 0.50797900 0.29480100 0.37197300 1.0 Ni Ni55 1 0.00466500 0.69916300 0.82620000 1.0 P P56 1 0.20536500 0.07258700 0.42549100 1.0 P P57 1 0.68596400 0.93660900 0.67335200 1.0 P P58 1 0.81329100 0.43445400 0.02333500 1.0 P P59 1 0.18596400 0.06339100 0.82664800 1.0 P P60 1 0.68596400 0.43660900 0.82664800 1.0 P P61 1 0.31403600 0.06339100 0.32664800 1.0 P P62 1 0.68670900 0.93445400 0.97666500 1.0 P P63 1 0.70536500 0.92741300 0.07450900 1.0 P P64 1 0.81329100 0.93445400 0.47666500 1.0 P P65 1 0.18670900 0.06554600 0.52333500 1.0 P P66 1 0.18596400 0.56339100 0.67335200 1.0 P P67 1 0.79463500 0.42741300 0.92549100 1.0 P P68 1 0.20536500 0.57258700 0.07450900 1.0 P P69 1 0.70536500 0.42741300 0.42549100 1.0 P P70 1 0.31329100 0.06554600 0.02333500 1.0 P P71 1 0.29463500 0.57258700 0.57450900 1.0 P P72 1 0.81403600 0.43660900 0.32664800 1.0 P P73 1 0.29463500 0.07258700 0.92549100 1.0 P P74 1 0.18670900 0.56554600 0.97666500 1.0 P P75 1 0.68670900 0.43445400 0.52333500 1.0 P P76 1 0.31329100 0.56554600 0.47666500 1.0 P P77 1 0.79463500 0.92741300 0.57450900 1.0 P P78 1 0.31403600 0.56339100 0.17335200 1.0 P P79 1 0.81403600 0.93660900 0.17335200 1.0