# generated using pymatgen data_Nb32N27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12698219 _cell_length_b 3.12698230 _cell_length_c 100.53569953 _cell_angle_alpha 60.15527236 _cell_angle_beta 60.15527118 _cell_angle_gamma 60.00000061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb32N27 _chemical_formula_sum 'Nb32 N27' _cell_volume 696.74108574 _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 Nb Nb0 1 0.50446756 0.50446756 0.01520617 1.0 Nb Nb1 1 0.50009766 0.50009766 0.04686584 1.0 Nb Nb2 1 0.49992709 0.49992709 0.07813184 1.0 Nb Nb3 1 0.49518376 0.49518376 0.10982652 1.0 Nb Nb4 1 0.49886794 0.49886794 0.14073113 1.0 Nb Nb5 1 0.50046318 0.50046318 0.17183158 1.0 Nb Nb6 1 0.49932302 0.49932302 0.20318847 1.0 Nb Nb7 1 0.50067698 0.50067698 0.23431153 1.0 Nb Nb8 1 0.49953682 0.49953682 0.26566842 1.0 Nb Nb9 1 0.50113206 0.50113206 0.29676887 1.0 Nb Nb10 1 0.50481624 0.50481624 0.32767348 1.0 Nb Nb11 1 0.50007291 0.50007291 0.35936816 1.0 Nb Nb12 1 0.49990234 0.49990234 0.39063416 1.0 Nb Nb13 1 0.49553244 0.49553244 0.42229383 1.0 Nb Nb14 1 0.50137317 0.50137317 0.45299627 1.0 Nb Nb15 1 0.50358350 0.50358350 0.48403905 1.0 Nb Nb16 1 0.50257147 0.50257147 0.51538392 1.0 Nb Nb17 1 0.49862063 0.49862063 0.54700432 1.0 Nb Nb18 1 0.49992194 0.49992194 0.57813232 1.0 Nb Nb19 1 0.50088306 0.50088306 0.60929221 1.0 Nb Nb20 1 0.49943909 0.49943909 0.64067759 1.0 Nb Nb21 1 0.49995245 0.49995245 0.67187946 1.0 Nb Nb22 1 0.50017337 0.50017337 0.70310875 1.0 Nb Nb23 1 0.49982663 0.49982663 0.73439125 1.0 Nb Nb24 1 0.50004755 0.50004755 0.76562054 1.0 Nb Nb25 1 0.50056091 0.50056091 0.79682241 1.0 Nb Nb26 1 0.49911694 0.49911694 0.82820779 1.0 Nb Nb27 1 0.50007806 0.50007806 0.85936768 1.0 Nb Nb28 1 0.50137937 0.50137937 0.89049568 1.0 Nb Nb29 1 0.49742853 0.49742853 0.92211608 1.0 Nb Nb30 1 0.49641650 0.49641650 0.95346095 1.0 Nb Nb31 1 0.49862683 0.49862683 0.98450373 1.0 N N32 1 0.00598363 0.00598363 0.03068903 1.0 N N33 1 0.99993740 0.99993740 0.06250587 1.0 N N34 1 0.99362881 0.99362881 0.09434730 1.0 N N35 1 0.00275548 0.00275548 0.15599167 1.0 N N36 1 0.99672881 0.99672881 0.18780667 1.0 N N37 1 0.00327119 0.00327119 0.24969333 1.0 N N38 1 0.99724452 0.99724452 0.28150833 1.0 N N39 1 0.00637119 0.00637119 0.34315270 1.0 N N40 1 0.00006260 0.00006260 0.37499413 1.0 N N41 1 0.99401637 0.99401637 0.40681097 1.0 N N42 1 0.00598226 0.00598226 0.46818916 1.0 N N43 1 0.00436231 0.00436231 0.49959103 1.0 N N44 1 0.99971481 0.99971481 0.53127674 1.0 N N45 1 0.99939614 0.99939614 0.56255661 1.0 N N46 1 0.00017795 0.00017795 0.59373332 1.0 N N47 1 0.00010938 0.00010938 0.62498975 1.0 N N48 1 0.99951964 0.99951964 0.65629503 1.0 N N49 1 0.00016285 0.00016285 0.68748473 1.0 N N50 1 0.99983715 0.99983715 0.75001527 1.0 N N51 1 0.00000000 0.00000000 0.71875000 1.0 N N52 1 0.00048036 0.00048036 0.78120497 1.0 N N53 1 0.99989062 0.99989062 0.81251025 1.0 N N54 1 0.99982205 0.99982205 0.84376668 1.0 N N55 1 0.00060386 0.00060386 0.87494339 1.0 N N56 1 0.00028519 0.00028519 0.90622326 1.0 N N57 1 0.99563769 0.99563769 0.93790897 1.0 N N58 1 0.99401774 0.99401774 0.96931084 1.0