# generated using pymatgen data_Mn12Zn4CN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86117300 _cell_length_b 3.86117300 _cell_length_c 15.19334700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn12Zn4CN3 _chemical_formula_sum 'Mn12 Zn4 C1 N3' _cell_volume 226.51239813 _cell_formula_units_Z 1 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 0.00000000 0.00000000 0.12666000 1.0 Mn Mn1 1 0.00000000 0.00000000 0.37554200 1.0 Mn Mn2 1 0.00000000 0.00000000 0.62445800 1.0 Mn Mn3 1 0.00000000 0.00000000 0.87334000 1.0 Mn Mn4 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn5 1 0.00000000 0.50000000 0.25146300 1.0 Mn Mn6 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn7 1 0.00000000 0.50000000 0.74853700 1.0 Mn Mn8 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn9 1 0.50000000 0.00000000 0.25146300 1.0 Mn Mn10 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn11 1 0.50000000 0.00000000 0.74853700 1.0 Zn Zn12 1 0.50000000 0.50000000 0.12459400 1.0 Zn Zn13 1 0.50000000 0.50000000 0.37528900 1.0 Zn Zn14 1 0.50000000 0.50000000 0.62471100 1.0 Zn Zn15 1 0.50000000 0.50000000 0.87540600 1.0 C C16 1 0.00000000 0.00000000 0.00000000 1.0 N N17 1 0.00000000 0.00000000 0.25186800 1.0 N N18 1 0.00000000 0.00000000 0.50000000 1.0 N N19 1 0.00000000 0.00000000 0.74813200 1.0