# generated using pymatgen data_Ni5Ge2P3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99446300 _cell_length_b 5.97891200 _cell_length_c 34.89382500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni5Ge2P3 _chemical_formula_sum 'Ni40 Ge16 P24' _cell_volume 1041.98037679 _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 Ni Ni0 1 0.51563400 0.79146800 0.21407900 1.0 Ni Ni1 1 0.98884900 0.79665700 0.02450200 1.0 Ni Ni2 1 0.98884900 0.29665700 0.47549800 1.0 Ni Ni3 1 0.51115100 0.79665700 0.52450200 1.0 Ni Ni4 1 0.49659000 0.79962000 0.82614700 1.0 Ni Ni5 1 0.01563400 0.70853200 0.21407900 1.0 Ni Ni6 1 0.99766000 0.21161800 0.06494500 1.0 Ni Ni7 1 0.50234000 0.21161800 0.56494500 1.0 Ni Ni8 1 0.50341000 0.20038000 0.17385300 1.0 Ni Ni9 1 0.47274600 0.70288100 0.62750900 1.0 Ni Ni10 1 0.47274600 0.20288100 0.87249100 1.0 Ni Ni11 1 0.49659000 0.29962000 0.67385300 1.0 Ni Ni12 1 0.01115100 0.20334300 0.97549800 1.0 Ni Ni13 1 0.00341000 0.29962000 0.17385300 1.0 Ni Ni14 1 0.48436600 0.20853200 0.78592100 1.0 Ni Ni15 1 0.49766000 0.78838200 0.43505500 1.0 Ni Ni16 1 0.99766000 0.71161800 0.43505500 1.0 Ni Ni17 1 0.00341000 0.79962000 0.32614700 1.0 Ni Ni18 1 0.99659000 0.20038000 0.67385300 1.0 Ni Ni19 1 0.50234000 0.71161800 0.93505500 1.0 Ni Ni20 1 0.02725400 0.70288100 0.12750900 1.0 Ni Ni21 1 0.52725400 0.79711900 0.12750900 1.0 Ni Ni22 1 0.48436600 0.70853200 0.71407900 1.0 Ni Ni23 1 0.02725400 0.20288100 0.37249100 1.0 Ni Ni24 1 0.00234000 0.78838200 0.93505500 1.0 Ni Ni25 1 0.01115100 0.70334300 0.52450200 1.0 Ni Ni26 1 0.98436600 0.79146800 0.71407900 1.0 Ni Ni27 1 0.48884900 0.20334300 0.47549800 1.0 Ni Ni28 1 0.99659000 0.70038000 0.82614700 1.0 Ni Ni29 1 0.01563400 0.20853200 0.28592100 1.0 Ni Ni30 1 0.51563400 0.29146800 0.28592100 1.0 Ni Ni31 1 0.97274600 0.79711900 0.62750900 1.0 Ni Ni32 1 0.98436600 0.29146800 0.78592100 1.0 Ni Ni33 1 0.49766000 0.28838200 0.06494500 1.0 Ni Ni34 1 0.48884900 0.70334300 0.02450200 1.0 Ni Ni35 1 0.00234000 0.28838200 0.56494500 1.0 Ni Ni36 1 0.52725400 0.29711900 0.37249100 1.0 Ni Ni37 1 0.50341000 0.70038000 0.32614700 1.0 Ni Ni38 1 0.97274600 0.29711900 0.87249100 1.0 Ni Ni39 1 0.51115100 0.29665700 0.97549800 1.0 Ge Ge40 1 0.71897500 0.40654100 0.22787000 1.0 Ge Ge41 1 0.71897500 0.90654100 0.27213000 1.0 Ge Ge42 1 0.70919900 0.91272400 0.37834200 1.0 Ge Ge43 1 0.21897500 0.59345900 0.27213000 1.0 Ge Ge44 1 0.78102500 0.40654100 0.72787000 1.0 Ge Ge45 1 0.79080100 0.41272400 0.62165800 1.0 Ge Ge46 1 0.70919900 0.41272400 0.12165800 1.0 Ge Ge47 1 0.20919900 0.08727600 0.12165800 1.0 Ge Ge48 1 0.78102500 0.90654100 0.77213000 1.0 Ge Ge49 1 0.28102500 0.09345900 0.72787000 1.0 Ge Ge50 1 0.29080100 0.08727600 0.62165800 1.0 Ge Ge51 1 0.20919900 0.58727600 0.37834200 1.0 Ge Ge52 1 0.21897500 0.09345900 0.22787000 1.0 Ge Ge53 1 0.29080100 0.58727600 0.87834200 1.0 Ge Ge54 1 0.79080100 0.91272400 0.87834200 1.0 Ge Ge55 1 0.28102500 0.59345900 0.77213000 1.0 P P56 1 0.18097100 0.56333900 0.67200300 1.0 P P57 1 0.31015800 0.56662000 0.47778600 1.0 P P58 1 0.18097100 0.06333900 0.82799700 1.0 P P59 1 0.20366200 0.57047500 0.07292600 1.0 P P60 1 0.68097100 0.93666100 0.67200300 1.0 P P61 1 0.68984200 0.43338000 0.52221400 1.0 P P62 1 0.70366200 0.92952500 0.07292600 1.0 P P63 1 0.68984200 0.93338000 0.97778600 1.0 P P64 1 0.29633800 0.57047500 0.57292600 1.0 P P65 1 0.68097100 0.43666100 0.82799700 1.0 P P66 1 0.79633800 0.42952500 0.92707400 1.0 P P67 1 0.70366200 0.42952500 0.42707400 1.0 P P68 1 0.18984200 0.56662000 0.97778600 1.0 P P69 1 0.31015800 0.06662000 0.02221400 1.0 P P70 1 0.29633800 0.07047500 0.92707400 1.0 P P71 1 0.81902900 0.43666100 0.32799700 1.0 P P72 1 0.31902900 0.06333900 0.32799700 1.0 P P73 1 0.20366200 0.07047500 0.42707400 1.0 P P74 1 0.81015800 0.93338000 0.47778600 1.0 P P75 1 0.81902900 0.93666100 0.17200300 1.0 P P76 1 0.81015800 0.43338000 0.02221400 1.0 P P77 1 0.31902900 0.56333900 0.17200300 1.0 P P78 1 0.79633800 0.92952500 0.57292600 1.0 P P79 1 0.18984200 0.06662000 0.52221400 1.0