# generated using pymatgen data_NiGeN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25047000 _cell_length_b 10.59287200 _cell_length_c 12.92147600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiGeN2 _chemical_formula_sum 'Ni16 Ge16 N32' _cell_volume 718.66092343 _cell_formula_units_Z 16 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 0.66184200 0.94992200 0.44197200 1.0 Ni Ni1 1 0.16184200 0.55007800 0.55802800 1.0 Ni Ni2 1 0.33815800 0.44992200 0.05802800 1.0 Ni Ni3 1 0.83815800 0.05007800 0.94197200 1.0 Ni Ni4 1 0.33815800 0.05007800 0.55802800 1.0 Ni Ni5 1 0.83815800 0.44992200 0.44197200 1.0 Ni Ni6 1 0.66184200 0.55007800 0.94197200 1.0 Ni Ni7 1 0.16184200 0.94992200 0.05802800 1.0 Ni Ni8 1 0.79239800 0.29823100 0.30471400 1.0 Ni Ni9 1 0.29239800 0.20176900 0.69528600 1.0 Ni Ni10 1 0.20760200 0.79823100 0.19528600 1.0 Ni Ni11 1 0.70760200 0.70176900 0.80471400 1.0 Ni Ni12 1 0.20760200 0.70176900 0.69528600 1.0 Ni Ni13 1 0.70760200 0.79823100 0.30471400 1.0 Ni Ni14 1 0.79239800 0.20176900 0.80471400 1.0 Ni Ni15 1 0.29239800 0.29823100 0.19528600 1.0 Ge Ge16 1 0.63038600 0.04246100 0.18579600 1.0 Ge Ge17 1 0.13038600 0.45753900 0.81420400 1.0 Ge Ge18 1 0.36961400 0.54246100 0.31420400 1.0 Ge Ge19 1 0.86961400 0.95753900 0.68579600 1.0 Ge Ge20 1 0.36961400 0.95753900 0.81420400 1.0 Ge Ge21 1 0.86961400 0.54246100 0.18579600 1.0 Ge Ge22 1 0.63038600 0.45753900 0.68579600 1.0 Ge Ge23 1 0.13038600 0.04246100 0.31420400 1.0 Ge Ge24 1 0.78956200 0.29378300 0.06121700 1.0 Ge Ge25 1 0.28956200 0.20621700 0.93878300 1.0 Ge Ge26 1 0.21043800 0.79378300 0.43878300 1.0 Ge Ge27 1 0.71043800 0.70621700 0.56121700 1.0 Ge Ge28 1 0.21043800 0.70621700 0.93878300 1.0 Ge Ge29 1 0.71043800 0.79378300 0.06121700 1.0 Ge Ge30 1 0.78956200 0.20621700 0.56121700 1.0 Ge Ge31 1 0.28956200 0.29378300 0.43878300 1.0 N N32 1 0.70086500 0.48221100 0.30317800 1.0 N N33 1 0.20086500 0.01778900 0.69682200 1.0 N N34 1 0.29913500 0.98221100 0.19682200 1.0 N N35 1 0.79913500 0.51778900 0.80317800 1.0 N N36 1 0.29913500 0.51778900 0.69682200 1.0 N N37 1 0.79913500 0.98221100 0.30317800 1.0 N N38 1 0.70086500 0.01778900 0.80317800 1.0 N N39 1 0.20086500 0.48221100 0.19682200 1.0 N N40 1 0.64603200 0.28440300 0.44552300 1.0 N N41 1 0.14603200 0.21559700 0.55447700 1.0 N N42 1 0.35396800 0.78440300 0.05447700 1.0 N N43 1 0.85396800 0.71559700 0.94552300 1.0 N N44 1 0.35396800 0.71559700 0.55447700 1.0 N N45 1 0.85396800 0.78440300 0.44552300 1.0 N N46 1 0.64603200 0.21559700 0.94552300 1.0 N N47 1 0.14603200 0.28440300 0.05447700 1.0 N N48 1 0.71529600 0.46607100 0.07147700 1.0 N N49 1 0.21529600 0.03392900 0.92852300 1.0 N N50 1 0.28470400 0.96607100 0.42852300 1.0 N N51 1 0.78470400 0.53392900 0.57147700 1.0 N N52 1 0.28470400 0.53392900 0.92852300 1.0 N N53 1 0.78470400 0.96607100 0.07147700 1.0 N N54 1 0.71529600 0.03392900 0.57147700 1.0 N N55 1 0.21529600 0.46607100 0.42852300 1.0 N N56 1 0.64044500 0.21943100 0.18101800 1.0 N N57 1 0.14044500 0.28056900 0.81898200 1.0 N N58 1 0.35955500 0.71943100 0.31898200 1.0 N N59 1 0.85955500 0.78056900 0.68101800 1.0 N N60 1 0.35955500 0.78056900 0.81898200 1.0 N N61 1 0.85955500 0.71943100 0.18101800 1.0 N N62 1 0.64044500 0.28056900 0.68101800 1.0 N N63 1 0.14044500 0.21943100 0.31898200 1.0