# generated using pymatgen data_Cr3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67186750 _cell_length_b 7.67186750 _cell_length_c 6.65543800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999565 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3N4 _chemical_formula_sum 'Cr12 N16' _cell_volume 339.24189415 _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 0.46394000 0.09994200 0.26994700 1.0 Cr Cr1 1 0.63600200 0.53606000 0.26994700 1.0 Cr Cr2 1 0.90005800 0.36399800 0.26994700 1.0 Cr Cr3 1 0.36399800 0.90005800 0.76994700 1.0 Cr Cr4 1 0.09994200 0.46394000 0.76994700 1.0 Cr Cr5 1 0.53606000 0.63600200 0.76994700 1.0 Cr Cr6 1 0.19645700 0.24144900 0.51506000 1.0 Cr Cr7 1 0.04499200 0.80354300 0.51506000 1.0 Cr Cr8 1 0.75855100 0.95500800 0.51506000 1.0 Cr Cr9 1 0.95500800 0.75855100 0.01506000 1.0 Cr Cr10 1 0.24144900 0.19645700 0.01506000 1.0 Cr Cr11 1 0.80354300 0.04499200 0.01506000 1.0 N N12 1 0.00000000 0.00000000 0.36314700 1.0 N N13 1 0.00000000 0.00000000 0.86314700 1.0 N N14 1 0.00000000 0.00000000 0.66907100 1.0 N N15 1 0.00000000 0.00000000 0.16907100 1.0 N N16 1 0.32270900 0.95449100 0.50226200 1.0 N N17 1 0.63178200 0.67729100 0.50226200 1.0 N N18 1 0.04550900 0.36821800 0.50226200 1.0 N N19 1 0.36821800 0.04550900 0.00226200 1.0 N N20 1 0.95449100 0.32270900 0.00226200 1.0 N N21 1 0.67729100 0.63178200 0.00226200 1.0 N N22 1 0.38334000 0.30341700 0.28532500 1.0 N N23 1 0.92007700 0.61666000 0.28532500 1.0 N N24 1 0.69658300 0.07992300 0.28532500 1.0 N N25 1 0.07992300 0.69658300 0.78532500 1.0 N N26 1 0.30341700 0.38334000 0.78532500 1.0 N N27 1 0.61666000 0.92007700 0.78532500 1.0