# generated using pymatgen data_CrCo2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38139042 _cell_length_b 8.98754888 _cell_length_c 9.49507900 _cell_angle_alpha 89.99929846 _cell_angle_beta 89.99946254 _cell_angle_gamma 33.36916680 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrCo2N3 _chemical_formula_sum 'Cr4 Co8 N12' _cell_volume 252.59330083 _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 0.00000800 0.30962800 0.85101600 1.0 Cr Cr1 1 0.99999200 0.69037200 0.14898400 1.0 Cr Cr2 1 0.99998100 0.19037800 0.35099800 1.0 Cr Cr3 1 0.00001900 0.80962200 0.64900200 1.0 Co Co4 1 0.99999000 0.49369100 0.62524800 1.0 Co Co5 1 0.00001000 0.50630900 0.37475200 1.0 Co Co6 1 0.99999800 0.00631600 0.12525100 1.0 Co Co7 1 0.00000200 0.99368400 0.87474900 1.0 Co Co8 1 0.00002000 0.19713600 0.63089800 1.0 Co Co9 1 0.99998000 0.80286400 0.36910200 1.0 Co Co10 1 0.99997400 0.30285300 0.13088800 1.0 Co Co11 1 0.00002600 0.69714700 0.86911200 1.0 N N12 1 0.99999300 0.15737700 0.99542700 1.0 N N13 1 0.00000700 0.84262300 0.00457300 1.0 N N14 1 0.00001800 0.34264400 0.49542900 1.0 N N15 1 0.99998200 0.65735600 0.50457100 1.0 N N16 1 0.00000600 0.49979800 0.82844500 1.0 N N17 1 0.99999400 0.50020200 0.17155500 1.0 N N18 1 0.99999100 0.00020600 0.32845000 1.0 N N19 1 0.00000900 0.99979400 0.67155000 1.0 N N20 1 0.49998100 0.50428200 0.74999300 1.0 N N21 1 0.50000100 0.99573000 0.25000400 1.0 N N22 1 0.50001900 0.49571800 0.25000700 1.0 N N23 1 0.49999900 0.00427000 0.74999600 1.0