# generated using pymatgen data_Mo15N16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.04723994 _cell_length_b 8.04723994 _cell_length_c 9.96003616 _cell_angle_alpha 89.98058602 _cell_angle_beta 89.98058602 _cell_angle_gamma 90.95457185 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo15N16 _chemical_formula_sum 'Mo30 N32' _cell_volume 644.90313661 _cell_formula_units_Z 2 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 Mo Mo0 1 0.49502100 0.74573800 0.01027800 1.0 Mo Mo1 1 0.49504700 0.74405500 0.50106300 1.0 Mo Mo2 1 0.61335500 0.62850700 0.24432200 1.0 Mo Mo3 1 0.62850700 0.61335500 0.74432200 1.0 Mo Mo4 1 0.99717500 0.74399100 0.49256900 1.0 Mo Mo5 1 0.74573800 0.49502100 0.51027800 1.0 Mo Mo6 1 0.74405500 0.49504700 0.00106300 1.0 Mo Mo7 1 0.99431100 0.74345500 0.99779500 1.0 Mo Mo8 1 0.87716600 0.38888700 0.74615000 1.0 Mo Mo9 1 0.11605100 0.62558800 0.25691200 1.0 Mo Mo10 1 0.86619700 0.35300200 0.24323000 1.0 Mo Mo11 1 0.24516100 0.49714500 0.98755200 1.0 Mo Mo12 1 0.99694000 0.24464100 0.00844100 1.0 Mo Mo13 1 0.99302500 0.24451200 0.50213700 1.0 Mo Mo14 1 0.24283400 0.49470400 0.49863100 1.0 Mo Mo15 1 0.11510700 0.12691400 0.24373900 1.0 Mo Mo16 1 0.36764800 0.37580200 0.75701500 1.0 Mo Mo17 1 0.12691400 0.11510700 0.74373900 1.0 Mo Mo18 1 0.37580200 0.36764800 0.25701500 1.0 Mo Mo19 1 0.24464100 0.99694000 0.50844100 1.0 Mo Mo20 1 0.49714500 0.24516100 0.48755200 1.0 Mo Mo21 1 0.24451200 0.99302500 0.00213700 1.0 Mo Mo22 1 0.49470400 0.24283400 0.99863100 1.0 Mo Mo23 1 0.35300200 0.86619700 0.74323000 1.0 Mo Mo24 1 0.38888700 0.87716600 0.24615000 1.0 Mo Mo25 1 0.62558800 0.11605100 0.75691200 1.0 Mo Mo26 1 0.74345500 0.99431100 0.49779500 1.0 Mo Mo27 1 0.74399100 0.99717500 0.99256900 1.0 Mo Mo28 1 0.86592100 0.87662900 0.75513300 1.0 Mo Mo29 1 0.87662900 0.86592100 0.25513300 1.0 N N30 1 0.24831500 0.74570500 0.91600800 1.0 N N31 1 0.37238200 0.61897700 0.66770800 1.0 N N32 1 0.36367700 0.61596600 0.16603600 1.0 N N33 1 0.49799100 0.49941800 0.91654900 1.0 N N34 1 0.74924500 0.74905500 0.58393900 1.0 N N35 1 0.49941800 0.49799100 0.41654900 1.0 N N36 1 0.61596600 0.36367700 0.66603600 1.0 N N37 1 0.61897700 0.37238200 0.16770800 1.0 N N38 1 0.86321300 0.61333400 0.33389400 1.0 N N39 1 0.87413300 0.62363500 0.83495100 1.0 N N40 1 0.99954600 0.49781300 0.58262900 1.0 N N41 1 0.74570500 0.24831500 0.41600800 1.0 N N42 1 0.74831600 0.24890500 0.91804500 1.0 N N43 1 0.99726800 0.49725700 0.08350400 1.0 N N44 1 0.11782600 0.37002000 0.83212700 1.0 N N45 1 0.86593300 0.11244400 0.16560900 1.0 N N46 1 0.87063200 0.12385000 0.66697300 1.0 N N47 1 0.11934200 0.37009900 0.33397300 1.0 N N48 1 0.99865500 0.99683600 0.91546700 1.0 N N49 1 0.24905000 0.24863000 0.08366900 1.0 N N50 1 0.99683600 0.99865500 0.41546700 1.0 N N51 1 0.24863000 0.24905000 0.58366900 1.0 N N52 1 0.37002000 0.11782600 0.33212700 1.0 N N53 1 0.11244400 0.86593300 0.66560900 1.0 N N54 1 0.12385000 0.87063200 0.16697300 1.0 N N55 1 0.37009900 0.11934200 0.83397300 1.0 N N56 1 0.49725700 0.99726800 0.58350400 1.0 N N57 1 0.24890500 0.74831600 0.41804500 1.0 N N58 1 0.49781300 0.99954600 0.08262900 1.0 N N59 1 0.61333400 0.86321300 0.83389400 1.0 N N60 1 0.62363500 0.87413300 0.33495100 1.0 N N61 1 0.74905500 0.74924500 0.08393900 1.0