# generated using pymatgen data_Cr3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81213300 _cell_length_b 5.89242300 _cell_length_c 9.94836300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3N4 _chemical_formula_sum 'Cr12 N16' _cell_volume 282.08705819 _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 Cr Cr0 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr1 1 0.50000000 0.00000000 0.50000000 1.0 Cr Cr2 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr3 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr4 1 0.01036800 0.75000000 0.26183700 1.0 Cr Cr5 1 0.48963200 0.75000000 0.76183700 1.0 Cr Cr6 1 0.98963200 0.25000000 0.73816300 1.0 Cr Cr7 1 0.51036800 0.25000000 0.23816300 1.0 Cr Cr8 1 0.58553400 0.75000000 0.09121300 1.0 Cr Cr9 1 0.91446600 0.75000000 0.59121300 1.0 Cr Cr10 1 0.41446600 0.25000000 0.90878700 1.0 Cr Cr11 1 0.08553400 0.25000000 0.40878700 1.0 N N12 1 0.22067600 0.75000000 0.08532200 1.0 N N13 1 0.27932400 0.75000000 0.58532200 1.0 N N14 1 0.77932400 0.25000000 0.91467800 1.0 N N15 1 0.72067600 0.25000000 0.41467800 1.0 N N16 1 0.75570100 0.75000000 0.42907400 1.0 N N17 1 0.74429900 0.75000000 0.92907400 1.0 N N18 1 0.24429900 0.25000000 0.57092600 1.0 N N19 1 0.25570100 0.25000000 0.07092600 1.0 N N20 1 0.74964500 0.51416100 0.16718200 1.0 N N21 1 0.75035500 0.98583900 0.66718200 1.0 N N22 1 0.25035500 0.01416100 0.83281800 1.0 N N23 1 0.24964500 0.48583900 0.33281800 1.0 N N24 1 0.25035500 0.48583900 0.83281800 1.0 N N25 1 0.24964500 0.01416100 0.33281800 1.0 N N26 1 0.74964500 0.98583900 0.16718200 1.0 N N27 1 0.75035500 0.51416100 0.66718200 1.0