# generated using pymatgen data_Hf9Mo4N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55312622 _cell_length_b 8.55312513 _cell_length_c 8.39038069 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000036 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Mo4N3 _chemical_formula_sum 'Hf18 Mo8 N6' _cell_volume 531.57188479 _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 Hf Hf0 1 0.45456230 0.90912359 0.25000000 1.0 Hf Hf1 1 0.54543770 0.09087641 0.75000000 1.0 Hf Hf2 1 0.09087641 0.54543770 0.25000000 1.0 Hf Hf3 1 0.90912359 0.45456230 0.75000000 1.0 Hf Hf4 1 0.45456230 0.54543770 0.25000000 1.0 Hf Hf5 1 0.54543770 0.45456230 0.75000000 1.0 Hf Hf6 1 0.20694646 0.41389393 0.55804486 1.0 Hf Hf7 1 0.79305354 0.58610607 0.44195514 1.0 Hf Hf8 1 0.58610607 0.79305354 0.55804486 1.0 Hf Hf9 1 0.79305354 0.58610607 0.05804486 1.0 Hf Hf10 1 0.41389393 0.20694646 0.44195514 1.0 Hf Hf11 1 0.20694646 0.41389393 0.94195514 1.0 Hf Hf12 1 0.20694646 0.79305354 0.55804486 1.0 Hf Hf13 1 0.41389393 0.20694646 0.05804486 1.0 Hf Hf14 1 0.79305354 0.20694646 0.44195514 1.0 Hf Hf15 1 0.58610607 0.79305354 0.94195514 1.0 Hf Hf16 1 0.79305354 0.20694646 0.05804486 1.0 Hf Hf17 1 0.20694646 0.79305354 0.94195514 1.0 Mo Mo18 1 0.10782383 0.21564566 0.25000000 1.0 Mo Mo19 1 0.89217617 0.78435434 0.75000000 1.0 Mo Mo20 1 0.78435434 0.89217617 0.25000000 1.0 Mo Mo21 1 0.21564566 0.10782383 0.75000000 1.0 Mo Mo22 1 0.10782383 0.89217617 0.25000000 1.0 Mo Mo23 1 0.89217617 0.10782383 0.75000000 1.0 Mo Mo24 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo25 1 0.00000000 0.00000000 0.50000000 1.0 N N26 1 0.50000000 0.00000000 0.00000000 1.0 N N27 1 0.00000000 0.50000000 0.00000000 1.0 N N28 1 0.50000000 0.00000000 0.50000000 1.0 N N29 1 0.50000000 0.50000000 0.00000000 1.0 N N30 1 0.00000000 0.50000000 0.50000000 1.0 N N31 1 0.50000000 0.50000000 0.50000000 1.0