# generated using pymatgen data_Mn11(CN5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.78078500 _cell_length_b 12.78078500 _cell_length_c 2.84123900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn11(CN5)2 _chemical_formula_sum 'Mn22 C4 N20' _cell_volume 464.11202996 _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 0.50000000 0.50000000 0.50000000 1.0 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn2 1 0.99450600 0.78043900 0.50000000 1.0 Mn Mn3 1 0.00549400 0.21956100 0.50000000 1.0 Mn Mn4 1 0.50549400 0.28043900 0.00000000 1.0 Mn Mn5 1 0.49450600 0.71956100 0.00000000 1.0 Mn Mn6 1 0.78043900 0.99450600 0.50000000 1.0 Mn Mn7 1 0.21956100 0.00549400 0.50000000 1.0 Mn Mn8 1 0.28043900 0.50549400 0.00000000 1.0 Mn Mn9 1 0.71956100 0.49450600 0.00000000 1.0 Mn Mn10 1 0.65533700 0.65533700 0.50000000 1.0 Mn Mn11 1 0.34466300 0.34466300 0.50000000 1.0 Mn Mn12 1 0.84466300 0.15533700 0.00000000 1.0 Mn Mn13 1 0.15533700 0.84466300 0.00000000 1.0 Mn Mn14 1 0.40845300 0.92628100 0.50000000 1.0 Mn Mn15 1 0.59154700 0.07371900 0.50000000 1.0 Mn Mn16 1 0.09154700 0.42628100 0.00000000 1.0 Mn Mn17 1 0.90845300 0.57371900 0.00000000 1.0 Mn Mn18 1 0.92628100 0.40845300 0.50000000 1.0 Mn Mn19 1 0.07371900 0.59154700 0.50000000 1.0 Mn Mn20 1 0.42628100 0.09154700 0.00000000 1.0 Mn Mn21 1 0.57371900 0.90845300 0.00000000 1.0 C C22 1 0.30288900 0.69711100 0.50000000 1.0 C C23 1 0.69711100 0.30288900 0.50000000 1.0 C C24 1 0.19711100 0.19711100 0.00000000 1.0 C C25 1 0.80288900 0.80288900 0.00000000 1.0 N N26 1 0.08316400 0.91683600 0.50000000 1.0 N N27 1 0.91683600 0.08316400 0.50000000 1.0 N N28 1 0.41683600 0.41683600 0.00000000 1.0 N N29 1 0.58316400 0.58316400 0.00000000 1.0 N N30 1 0.48388200 0.17655600 0.50000000 1.0 N N31 1 0.51611800 0.82344400 0.50000000 1.0 N N32 1 0.01611800 0.67655600 0.00000000 1.0 N N33 1 0.98388200 0.32344400 0.00000000 1.0 N N34 1 0.17655600 0.48388200 0.50000000 1.0 N N35 1 0.82344400 0.51611800 0.50000000 1.0 N N36 1 0.67655600 0.01611800 0.00000000 1.0 N N37 1 0.32344400 0.98388200 0.00000000 1.0 N N38 1 0.23519000 0.76481000 0.50000000 1.0 N N39 1 0.76481000 0.23519000 0.50000000 1.0 N N40 1 0.26481000 0.26481000 0.00000000 1.0 N N41 1 0.73519000 0.73519000 0.00000000 1.0 N N42 1 0.37224800 0.62775200 0.50000000 1.0 N N43 1 0.62775200 0.37224800 0.50000000 1.0 N N44 1 0.12775200 0.12775200 0.00000000 1.0 N N45 1 0.87224800 0.87224800 0.00000000 1.0