# generated using pymatgen data_Nb3Cr3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13331615 _cell_length_b 8.13331615 _cell_length_c 8.13331615 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Cr3N _chemical_formula_sum 'Nb12 Cr12 N4' _cell_volume 380.44156864 _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 Nb Nb0 1 0.80677900 0.80677900 0.19322100 1.0 Nb Nb1 1 0.19322100 0.19322100 0.80677900 1.0 Nb Nb2 1 0.80677900 0.19322100 0.80677900 1.0 Nb Nb3 1 0.19322100 0.80677900 0.19322100 1.0 Nb Nb4 1 0.19322100 0.80677900 0.80677900 1.0 Nb Nb5 1 0.80677900 0.19322100 0.19322100 1.0 Nb Nb6 1 0.44322100 0.44322100 0.05677900 1.0 Nb Nb7 1 0.05677900 0.05677900 0.44322100 1.0 Nb Nb8 1 0.44322100 0.05677900 0.44322100 1.0 Nb Nb9 1 0.05677900 0.44322100 0.05677900 1.0 Nb Nb10 1 0.05677900 0.44322100 0.44322100 1.0 Nb Nb11 1 0.44322100 0.05677900 0.05677900 1.0 Cr Cr12 1 0.12500000 0.62500000 0.62500000 1.0 Cr Cr13 1 0.62500000 0.12500000 0.62500000 1.0 Cr Cr14 1 0.62500000 0.62500000 0.12500000 1.0 Cr Cr15 1 0.62500000 0.62500000 0.62500000 1.0 Cr Cr16 1 0.73441800 0.42186100 0.42186100 1.0 Cr Cr17 1 0.42186100 0.73441800 0.42186100 1.0 Cr Cr18 1 0.42186100 0.42186100 0.73441800 1.0 Cr Cr19 1 0.42186100 0.42186100 0.42186100 1.0 Cr Cr20 1 0.51558200 0.82813900 0.82813900 1.0 Cr Cr21 1 0.82813900 0.51558200 0.82813900 1.0 Cr Cr22 1 0.82813900 0.82813900 0.51558200 1.0 Cr Cr23 1 0.82813900 0.82813900 0.82813900 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0