# generated using pymatgen data_KMoN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85108200 _cell_length_b 11.86909900 _cell_length_c 16.99468900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMoN2 _chemical_formula_sum 'K16 Mo16 N32' _cell_volume 1180.23138236 _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 K K0 1 0.25736700 0.00075600 0.43772800 1.0 K K1 1 0.75736700 0.49924400 0.56227200 1.0 K K2 1 0.74263300 0.50075600 0.06227200 1.0 K K3 1 0.24263300 0.99924400 0.93772800 1.0 K K4 1 0.74263300 0.99924400 0.56227200 1.0 K K5 1 0.24263300 0.50075600 0.43772800 1.0 K K6 1 0.25736700 0.49924400 0.93772800 1.0 K K7 1 0.75736700 0.00075600 0.06227200 1.0 K K8 1 0.25709700 0.25265400 0.31354200 1.0 K K9 1 0.75709700 0.24734600 0.68645800 1.0 K K10 1 0.74290300 0.75265400 0.18645800 1.0 K K11 1 0.24290300 0.74734600 0.81354200 1.0 K K12 1 0.74290300 0.74734600 0.68645800 1.0 K K13 1 0.24290300 0.75265400 0.31354200 1.0 K K14 1 0.25709700 0.24734600 0.81354200 1.0 K K15 1 0.75709700 0.25265400 0.18645800 1.0 Mo Mo16 1 0.77619800 0.00297500 0.30942900 1.0 Mo Mo17 1 0.27619800 0.49702500 0.69057100 1.0 Mo Mo18 1 0.22380200 0.50297500 0.19057100 1.0 Mo Mo19 1 0.72380200 0.99702500 0.80942900 1.0 Mo Mo20 1 0.22380200 0.99702500 0.69057100 1.0 Mo Mo21 1 0.72380200 0.50297500 0.30942900 1.0 Mo Mo22 1 0.77619800 0.49702500 0.80942900 1.0 Mo Mo23 1 0.27619800 0.00297500 0.19057100 1.0 Mo Mo24 1 0.75185900 0.25351700 0.43606700 1.0 Mo Mo25 1 0.25185900 0.24648300 0.56393300 1.0 Mo Mo26 1 0.24814100 0.75351700 0.06393300 1.0 Mo Mo27 1 0.74814100 0.74648300 0.93606700 1.0 Mo Mo28 1 0.24814100 0.74648300 0.56393300 1.0 Mo Mo29 1 0.74814100 0.75351700 0.43606700 1.0 Mo Mo30 1 0.75185900 0.24648300 0.93606700 1.0 Mo Mo31 1 0.25185900 0.25351700 0.06393300 1.0 N N32 1 0.00718400 0.29731400 0.49915900 1.0 N N33 1 0.50718400 0.20268600 0.50084100 1.0 N N34 1 0.99281600 0.79731400 0.00084100 1.0 N N35 1 0.49281600 0.70268600 0.99915900 1.0 N N36 1 0.99281600 0.70268600 0.50084100 1.0 N N37 1 0.49281600 0.79731400 0.49915900 1.0 N N38 1 0.00718400 0.20268600 0.99915900 1.0 N N39 1 0.50718400 0.29731400 0.00084100 1.0 N N40 1 0.65088900 0.37780600 0.37458300 1.0 N N41 1 0.15088900 0.12219400 0.62541700 1.0 N N42 1 0.34911100 0.87780600 0.12541700 1.0 N N43 1 0.84911100 0.62219400 0.87458300 1.0 N N44 1 0.34911100 0.62219400 0.62541700 1.0 N N45 1 0.84911100 0.87780600 0.37458300 1.0 N N46 1 0.65088900 0.12219400 0.87458300 1.0 N N47 1 0.15088900 0.37780600 0.12541700 1.0 N N48 1 0.84331400 0.13770500 0.36553400 1.0 N N49 1 0.34331400 0.36229500 0.63446600 1.0 N N50 1 0.15668600 0.63770500 0.13446600 1.0 N N51 1 0.65668600 0.86229500 0.86553400 1.0 N N52 1 0.15668600 0.86229500 0.63446600 1.0 N N53 1 0.65668600 0.63770500 0.36553400 1.0 N N54 1 0.84331400 0.36229500 0.86553400 1.0 N N55 1 0.34331400 0.13770500 0.13446600 1.0 N N56 1 0.53844600 0.49826100 0.21643500 1.0 N N57 1 0.03844600 0.00173900 0.78356500 1.0 N N58 1 0.46155400 0.99826100 0.28356500 1.0 N N59 1 0.96155400 0.50173900 0.71643500 1.0 N N60 1 0.46155400 0.50173900 0.78356500 1.0 N N61 1 0.96155400 0.99826100 0.21643500 1.0 N N62 1 0.53844600 0.00173900 0.71643500 1.0 N N63 1 0.03844600 0.49826100 0.28356500 1.0