# generated using pymatgen data_CrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26778468 _cell_length_b 12.51789658 _cell_length_c 12.51789676 _cell_angle_alpha 72.56061355 _cell_angle_beta 80.63089274 _cell_angle_gamma 80.63089116 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrN2 _chemical_formula_sum 'Cr16 N32' _cell_volume 1210.52765965 _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 Cr Cr0 1 0.30225500 0.60076500 0.37490300 1.0 Cr Cr1 1 0.30225500 0.37490300 0.60076500 1.0 Cr Cr2 1 0.69774500 0.39923500 0.62509700 1.0 Cr Cr3 1 0.69774500 0.62509700 0.39923500 1.0 Cr Cr4 1 0.09740200 0.76144800 0.53435800 1.0 Cr Cr5 1 0.09740200 0.53435800 0.76144800 1.0 Cr Cr6 1 0.90259800 0.23855200 0.46564200 1.0 Cr Cr7 1 0.90259800 0.46564200 0.23855200 1.0 Cr Cr8 1 0.62392500 0.36251200 0.13830200 1.0 Cr Cr9 1 0.62392500 0.13830200 0.36251200 1.0 Cr Cr10 1 0.37607500 0.63748800 0.86169800 1.0 Cr Cr11 1 0.37607500 0.86169800 0.63748800 1.0 Cr Cr12 1 0.27253200 0.54278300 0.13558900 1.0 Cr Cr13 1 0.27253200 0.13558900 0.54278300 1.0 Cr Cr14 1 0.72746800 0.45721700 0.86441100 1.0 Cr Cr15 1 0.72746800 0.86441100 0.45721700 1.0 N N16 1 0.17547500 0.70388900 0.42511200 1.0 N N17 1 0.17547500 0.42511200 0.70388900 1.0 N N18 1 0.82452500 0.29611100 0.57488800 1.0 N N19 1 0.82452500 0.57488800 0.29611100 1.0 N N20 1 0.27592000 0.60847000 0.23834800 1.0 N N21 1 0.27592000 0.23834800 0.60847000 1.0 N N22 1 0.72408000 0.39153000 0.76165200 1.0 N N23 1 0.72408000 0.76165200 0.39153000 1.0 N N24 1 0.91955200 0.85218500 0.49897500 1.0 N N25 1 0.91955200 0.49897500 0.85218500 1.0 N N26 1 0.08044800 0.14781500 0.50102500 1.0 N N27 1 0.08044800 0.50102500 0.14781500 1.0 N N28 1 0.50000000 0.62787200 0.37212800 1.0 N N29 1 0.50000000 0.37212800 0.62787200 1.0 N N30 1 0.42521400 0.42927600 0.15451700 1.0 N N31 1 0.42521400 0.15451700 0.42927600 1.0 N N32 1 0.57478600 0.57072400 0.84548300 1.0 N N33 1 0.57478600 0.84548300 0.57072400 1.0 N N34 1 0.24900000 0.82698700 0.55982200 1.0 N N35 1 0.24900000 0.55982200 0.82698700 1.0 N N36 1 0.75100000 0.17301300 0.44017800 1.0 N N37 1 0.75100000 0.44017800 0.17301300 1.0 N N38 1 0.27739900 0.47121600 0.47121600 1.0 N N39 1 0.72260100 0.52878400 0.52878400 1.0 N N40 1 0.67913200 0.36837800 0.99748100 1.0 N N41 1 0.67913200 0.99748100 0.36837800 1.0 N N42 1 0.32086800 0.63162200 0.00251900 1.0 N N43 1 0.32086800 0.00251900 0.63162200 1.0 N N44 1 0.05214900 0.65395500 0.65395500 1.0 N N45 1 0.94785100 0.34604500 0.34604500 1.0 N N46 1 0.63873900 0.22612300 0.22612300 1.0 N N47 1 0.36126100 0.77387700 0.77387700 1.0