# generated using pymatgen data_Cr3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17645907 _cell_length_b 8.17645907 _cell_length_c 6.02958000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999248 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3N4 _chemical_formula_sum 'Cr12 N16' _cell_volume 349.09872332 _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 0.56799300 0.08174500 0.79269100 1.0 Cr Cr1 1 0.51375200 0.43200700 0.79269100 1.0 Cr Cr2 1 0.91825500 0.48624800 0.79269100 1.0 Cr Cr3 1 0.43200700 0.51375200 0.29269100 1.0 Cr Cr4 1 0.48624800 0.91825500 0.29269100 1.0 Cr Cr5 1 0.08174500 0.56799300 0.29269100 1.0 Cr Cr6 1 0.08680100 0.25416000 0.02267700 1.0 Cr Cr7 1 0.16735800 0.91319900 0.02267700 1.0 Cr Cr8 1 0.74584000 0.83264200 0.02267700 1.0 Cr Cr9 1 0.91319900 0.16735800 0.52267700 1.0 Cr Cr10 1 0.83264200 0.74584000 0.52267700 1.0 Cr Cr11 1 0.25416000 0.08680100 0.52267700 1.0 N N12 1 0.04508000 0.65293600 0.02461300 1.0 N N13 1 0.60785600 0.95492000 0.02461300 1.0 N N14 1 0.34706400 0.39214400 0.02461300 1.0 N N15 1 0.95492000 0.60785600 0.52461300 1.0 N N16 1 0.39214400 0.34706400 0.52461300 1.0 N N17 1 0.65293600 0.04508000 0.52461300 1.0 N N18 1 0.00230200 0.31542700 0.77205600 1.0 N N19 1 0.31312600 0.99769800 0.77205600 1.0 N N20 1 0.68457300 0.68687400 0.77205600 1.0 N N21 1 0.99769800 0.31312600 0.27205600 1.0 N N22 1 0.68687400 0.68457300 0.27205600 1.0 N N23 1 0.31542700 0.00230200 0.27205600 1.0 N N24 1 0.00000000 0.00000000 0.02027500 1.0 N N25 1 0.00000000 0.00000000 0.52027500 1.0 N N26 1 0.33333300 0.66666700 0.35802300 1.0 N N27 1 0.66666700 0.33333300 0.85802300 1.0