# generated using pymatgen data_Zr6Zn6O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48896175 _cell_length_b 8.48896220 _cell_length_c 8.48896151 _cell_angle_alpha 59.99999890 _cell_angle_beta 59.99999715 _cell_angle_gamma 59.99999764 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Zn6O _chemical_formula_sum 'Zr12 Zn12 O2' _cell_volume 432.56235649 _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 Zr Zr0 1 0.19348416 0.80651584 0.19348416 1.0 Zr Zr1 1 0.44348416 0.05651584 0.44348416 1.0 Zr Zr2 1 0.44348416 0.05651584 0.05651584 1.0 Zr Zr3 1 0.44348416 0.44348416 0.05651584 1.0 Zr Zr4 1 0.19348416 0.80651584 0.80651584 1.0 Zr Zr5 1 0.05651584 0.44348416 0.05651584 1.0 Zr Zr6 1 0.80651584 0.80651584 0.19348416 1.0 Zr Zr7 1 0.05651584 0.44348416 0.44348416 1.0 Zr Zr8 1 0.19348416 0.19348416 0.80651584 1.0 Zr Zr9 1 0.80651584 0.19348416 0.19348416 1.0 Zr Zr10 1 0.80651584 0.19348416 0.80651584 1.0 Zr Zr11 1 0.05651584 0.05651584 0.44348416 1.0 Zn Zn12 1 0.83100631 0.50698208 0.83100631 1.0 Zn Zn13 1 0.41899369 0.41899369 0.74301792 1.0 Zn Zn14 1 0.74301792 0.41899369 0.41899369 1.0 Zn Zn15 1 0.41899369 0.41899369 0.41899369 1.0 Zn Zn16 1 0.83100631 0.83100631 0.50698208 1.0 Zn Zn17 1 0.41899369 0.74301792 0.41899369 1.0 Zn Zn18 1 0.83100631 0.83100631 0.83100631 1.0 Zn Zn19 1 0.50698208 0.83100631 0.83100631 1.0 Zn Zn20 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn21 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn22 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn23 1 0.62500000 0.62500000 0.62500000 1.0 O O24 1 0.00000000 0.00000000 0.00000000 1.0 O O25 1 0.25000000 0.25000000 0.25000000 1.0