# generated using pymatgen data_Mn3Si6N11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.76239911 _cell_length_b 9.76239911 _cell_length_c 4.79488211 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Si6N11 _chemical_formula_sum 'Mn6 Si12 N22' _cell_volume 456.97353702 _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 Mn Mn0 1 0.29394408 0.79394408 0.96518215 1.0 Mn Mn1 1 0.70605592 0.20605592 0.96518215 1.0 Mn Mn2 1 0.20605592 0.29394408 0.96518215 1.0 Mn Mn3 1 0.79394408 0.70605592 0.96518215 1.0 Mn Mn4 1 0.50000000 0.50000000 0.91181732 1.0 Mn Mn5 1 -0.00000000 0.00000000 0.91181732 1.0 Si Si6 1 0.41989143 0.29048689 0.53167010 1.0 Si Si7 1 0.58010857 0.70951311 0.53167010 1.0 Si Si8 1 0.08010857 0.79048689 0.53167010 1.0 Si Si9 1 0.91989143 0.20951311 0.53167010 1.0 Si Si10 1 0.29048689 0.58010857 0.53167010 1.0 Si Si11 1 0.70951311 0.41989143 0.53167010 1.0 Si Si12 1 0.79048689 0.91989143 0.53167010 1.0 Si Si13 1 0.20951311 0.08010857 0.53167010 1.0 Si Si14 1 0.88427899 0.38427899 0.04696474 1.0 Si Si15 1 0.11572101 0.61572101 0.04696474 1.0 Si Si16 1 0.61572101 0.88427899 0.04696474 1.0 Si Si17 1 0.38427899 0.11572101 0.04696474 1.0 N N18 1 0.31932453 0.42027173 0.67709557 1.0 N N19 1 0.68067547 0.57972827 0.67709557 1.0 N N20 1 0.18067547 0.92027173 0.67709557 1.0 N N21 1 0.81932453 0.07972827 0.67709557 1.0 N N22 1 0.42027173 0.68067547 0.67709557 1.0 N N23 1 0.57972827 0.31932453 0.67709557 1.0 N N24 1 0.92027173 0.81932453 0.67709557 1.0 N N25 1 0.07972827 0.18067547 0.67709557 1.0 N N26 1 0.40286143 0.28596173 0.17279650 1.0 N N27 1 0.59713857 0.71403827 0.17279650 1.0 N N28 1 0.09713857 0.78596173 0.17279650 1.0 N N29 1 0.90286143 0.21403827 0.17279650 1.0 N N30 1 0.28596173 0.59713857 0.17279650 1.0 N N31 1 0.71403827 0.40286143 0.17279650 1.0 N N32 1 0.78596173 0.90286143 0.17279650 1.0 N N33 1 0.21403827 0.09713857 0.17279650 1.0 N N34 1 0.85638326 0.35638326 0.68901435 1.0 N N35 1 0.14361674 0.64361674 0.68901435 1.0 N N36 1 0.64361674 0.85638326 0.68901435 1.0 N N37 1 0.35638326 0.14361674 0.68901435 1.0 N N38 1 0.50000000 0.00000000 0.12815152 1.0 N N39 1 -0.00000000 0.50000000 0.12815152 1.0