# generated using pymatgen data_TiMoN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.52231057 _cell_length_b 5.08570807 _cell_length_c 10.00114370 _cell_angle_alpha 132.29659732 _cell_angle_beta 109.87708409 _cell_angle_gamma 104.15787158 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiMoN3 _chemical_formula_sum 'Ti4 Mo4 N12' _cell_volume 272.76706554 _cell_formula_units_Z 4 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 Ti Ti0 1 0.67395140 0.50404952 0.36806602 1.0 Ti Ti1 1 0.32604860 0.49595048 0.63193398 1.0 Ti Ti2 1 0.69667340 0.35707120 0.66398068 1.0 Ti Ti3 1 0.30332660 0.64292880 0.33601932 1.0 Mo Mo4 1 0.96956500 0.64838528 0.66107799 1.0 Mo Mo5 1 0.03043500 0.35161472 0.33892201 1.0 Mo Mo6 1 0.63740925 0.65881149 0.99584899 1.0 Mo Mo7 1 0.36259075 0.34118851 0.00415101 1.0 N N8 1 0.76226143 0.67883398 0.63061968 1.0 N N9 1 0.23773857 0.32116602 0.36938032 1.0 N N10 1 0.84002748 0.39647338 0.34519282 1.0 N N11 1 0.15997252 0.60352662 0.65480718 1.0 N N12 1 0.86482453 0.22247957 0.61272391 1.0 N N13 1 0.13517547 0.77752043 0.38727609 1.0 N N14 1 0.50373446 0.36058889 0.67307614 1.0 N N15 1 0.49626554 0.63941111 0.32692386 1.0 N N16 1 0.83168723 0.68124828 0.98627100 1.0 N N17 1 0.16831277 0.31875172 0.01372900 1.0 N N18 1 0.45097143 0.75215704 0.03219448 1.0 N N19 1 0.54902857 0.24784296 0.96780552 1.0