# generated using pymatgen data_Zn6Mo6CN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96839198 _cell_length_b 7.98367121 _cell_length_c 7.98367014 _cell_angle_alpha 60.13441802 _cell_angle_beta 60.06328452 _cell_angle_gamma 60.06328415 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn6Mo6CN _chemical_formula_sum 'Zn12 Mo12 C2 N2' _cell_volume 359.84524341 _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 Zn Zn0 1 0.41540708 0.41587157 0.75331128 1.0 Zn Zn1 1 0.41536136 0.41579985 0.41579985 1.0 Zn Zn2 1 0.75303694 0.41579985 0.41579985 1.0 Zn Zn3 1 0.41540708 0.75331128 0.41587157 1.0 Zn Zn4 1 0.83459292 0.83412843 0.49668872 1.0 Zn Zn5 1 0.83463864 0.83420015 0.83420015 1.0 Zn Zn6 1 0.49696306 0.83420015 0.83420015 1.0 Zn Zn7 1 0.83459292 0.49668872 0.83412843 1.0 Zn Zn8 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn9 1 0.62500000 0.62500000 0.62500000 1.0 Zn Zn10 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn11 1 0.62500000 0.12500000 0.62500000 1.0 Mo Mo12 1 0.81029976 0.18970024 0.18970024 1.0 Mo Mo13 1 0.19056837 0.80999607 0.19005743 1.0 Mo Mo14 1 0.80937812 0.80999607 0.19005743 1.0 Mo Mo15 1 0.19089608 0.80910392 0.80910392 1.0 Mo Mo16 1 0.80937812 0.19005743 0.80999607 1.0 Mo Mo17 1 0.19056837 0.19005743 0.80999607 1.0 Mo Mo18 1 0.43970024 0.06029976 0.06029976 1.0 Mo Mo19 1 0.05943163 0.44000393 0.05994257 1.0 Mo Mo20 1 0.44062188 0.44000393 0.05994257 1.0 Mo Mo21 1 0.05910392 0.44089608 0.44089608 1.0 Mo Mo22 1 0.44062188 0.05994257 0.44000393 1.0 Mo Mo23 1 0.05943163 0.05994257 0.44000393 1.0 C C24 1 0.12500000 0.12500000 0.62500000 1.0 C C25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.12500000 1.0 N N27 1 0.62500000 0.12500000 0.12500000 1.0