# generated using pymatgen data_Mn3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.85038700 _cell_length_b 5.72773400 _cell_length_c 4.68115600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3N4 _chemical_formula_sum 'Mn12 N16' _cell_volume 264.11267775 _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 Mn Mn0 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn1 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn2 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn4 1 0.75752500 0.25000000 0.50541700 1.0 Mn Mn5 1 0.25752500 0.25000000 0.99458300 1.0 Mn Mn6 1 0.24247500 0.75000000 0.49458300 1.0 Mn Mn7 1 0.74247500 0.75000000 0.00541700 1.0 Mn Mn8 1 0.58735000 0.25000000 0.09594600 1.0 Mn Mn9 1 0.08735000 0.25000000 0.40405400 1.0 Mn Mn10 1 0.41265000 0.75000000 0.90405400 1.0 Mn Mn11 1 0.91265000 0.75000000 0.59594600 1.0 N N12 1 0.58637700 0.25000000 0.71736300 1.0 N N13 1 0.08637700 0.25000000 0.78263700 1.0 N N14 1 0.41362300 0.75000000 0.28263700 1.0 N N15 1 0.91362300 0.75000000 0.21736300 1.0 N N16 1 0.92155300 0.25000000 0.25006000 1.0 N N17 1 0.42155300 0.25000000 0.24994000 1.0 N N18 1 0.07844700 0.75000000 0.74994000 1.0 N N19 1 0.57844700 0.75000000 0.75006000 1.0 N N20 1 0.66780100 0.00402200 0.26031100 1.0 N N21 1 0.16780100 0.49597800 0.23968900 1.0 N N22 1 0.33219900 0.50402200 0.73968900 1.0 N N23 1 0.83219900 0.99597800 0.76031100 1.0 N N24 1 0.33219900 0.99597800 0.73968900 1.0 N N25 1 0.83219900 0.50402200 0.76031100 1.0 N N26 1 0.66780100 0.49597800 0.26031100 1.0 N N27 1 0.16780100 0.00402200 0.23968900 1.0