# generated using pymatgen data_Zr6ZnSN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94126528 _cell_length_b 5.94126539 _cell_length_c 8.56144722 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.94351859 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6ZnSN2 _chemical_formula_sum 'Zr6 Zn1 S1 N2' _cell_volume 164.84371123 _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 Zr Zr0 1 0.63112275 0.36887725 0.93588846 1.0 Zr Zr1 1 0.37370702 0.62629298 0.45048202 1.0 Zr Zr2 1 0.37370702 0.62629298 0.04951798 1.0 Zr Zr3 1 0.63112275 0.36887725 0.56411154 1.0 Zr Zr4 1 0.93218767 0.06781233 0.75000000 1.0 Zr Zr5 1 0.05413092 0.94586908 0.25000000 1.0 Zn Zn6 1 0.74555273 0.25444727 0.25000000 1.0 S S7 1 0.25591035 0.74408965 0.75000000 1.0 N N8 1 0.00127890 0.99872110 0.99568411 1.0 N N9 1 0.00127890 0.99872110 0.50431589 1.0