# generated using pymatgen data_Sr4MnN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.76165500 _cell_length_b 5.26005800 _cell_length_c 11.57195500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4MnN4 _chemical_formula_sum 'Sr16 Mn4 N16' _cell_volume 715.92199506 _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 Sr Sr0 1 0.55542100 0.25000000 0.88983900 1.0 Sr Sr1 1 0.05542100 0.25000000 0.61016100 1.0 Sr Sr2 1 0.44457900 0.75000000 0.11016100 1.0 Sr Sr3 1 0.94457900 0.75000000 0.38983900 1.0 Sr Sr4 1 0.72755800 0.25000000 0.52416600 1.0 Sr Sr5 1 0.22755800 0.25000000 0.97583400 1.0 Sr Sr6 1 0.27244200 0.75000000 0.47583400 1.0 Sr Sr7 1 0.77244200 0.75000000 0.02416600 1.0 Sr Sr8 1 0.86376000 0.25000000 0.83705400 1.0 Sr Sr9 1 0.36376000 0.25000000 0.66294600 1.0 Sr Sr10 1 0.13624000 0.75000000 0.16294600 1.0 Sr Sr11 1 0.63624000 0.75000000 0.33705400 1.0 Sr Sr12 1 0.90645800 0.25000000 0.18364700 1.0 Sr Sr13 1 0.40645800 0.25000000 0.31635300 1.0 Sr Sr14 1 0.09354200 0.75000000 0.81635300 1.0 Sr Sr15 1 0.59354200 0.75000000 0.68364700 1.0 Mn Mn16 1 0.63471100 0.25000000 0.14840700 1.0 Mn Mn17 1 0.13471100 0.25000000 0.35159300 1.0 Mn Mn18 1 0.36528900 0.75000000 0.85159300 1.0 Mn Mn19 1 0.86528900 0.75000000 0.64840700 1.0 N N20 1 0.49620800 0.25000000 0.10937400 1.0 N N21 1 0.99620800 0.25000000 0.39062600 1.0 N N22 1 0.50379200 0.75000000 0.89062600 1.0 N N23 1 0.00379200 0.75000000 0.60937400 1.0 N N24 1 0.73256700 0.25000000 0.03080100 1.0 N N25 1 0.23256700 0.25000000 0.46919900 1.0 N N26 1 0.26743300 0.75000000 0.96919900 1.0 N N27 1 0.76743300 0.75000000 0.53080100 1.0 N N28 1 0.67829300 0.25000000 0.28939200 1.0 N N29 1 0.17829300 0.25000000 0.21060800 1.0 N N30 1 0.32170700 0.75000000 0.71060800 1.0 N N31 1 0.82170700 0.75000000 0.78939200 1.0 N N32 1 0.06964700 0.25000000 0.83381300 1.0 N N33 1 0.56964700 0.25000000 0.66618700 1.0 N N34 1 0.93035300 0.75000000 0.16618700 1.0 N N35 1 0.43035300 0.75000000 0.33381300 1.0