# generated using pymatgen data_Cr3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06350685 _cell_length_b 3.06350685 _cell_length_c 12.28784100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001832 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3N2 _chemical_formula_sum 'Cr6 N4' _cell_volume 99.87202269 _cell_formula_units_Z 2 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 0.33333300 0.66666700 0.42281800 1.0 Cr Cr1 1 0.66666700 0.33333300 0.57718200 1.0 Cr Cr2 1 0.66666700 0.33333300 0.92281800 1.0 Cr Cr3 1 0.33333300 0.66666700 0.07718200 1.0 Cr Cr4 1 0.00000000 0.00000000 0.25000000 1.0 Cr Cr5 1 0.00000000 0.00000000 0.75000000 1.0 N N6 1 0.00000000 0.00000000 0.50000000 1.0 N N7 1 0.00000000 0.00000000 0.00000000 1.0 N N8 1 0.66666700 0.33333300 0.25000000 1.0 N N9 1 0.33333300 0.66666700 0.75000000 1.0