# generated using pymatgen data_Nb6Zn6O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15495266 _cell_length_b 8.15495218 _cell_length_c 8.15495249 _cell_angle_alpha 59.99999876 _cell_angle_beta 60.00000069 _cell_angle_gamma 60.00000083 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Zn6O _chemical_formula_sum 'Nb12 Zn12 O2' _cell_volume 383.48581251 _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 Nb Nb0 1 0.05642706 0.05642706 0.44357294 1.0 Nb Nb1 1 0.44357294 0.05642706 0.44357294 1.0 Nb Nb2 1 0.05642706 0.44357294 0.44357294 1.0 Nb Nb3 1 0.44357294 0.44357294 0.05642706 1.0 Nb Nb4 1 0.05642706 0.44357294 0.05642706 1.0 Nb Nb5 1 0.44357294 0.05642706 0.05642706 1.0 Nb Nb6 1 0.19357294 0.19357294 0.80642706 1.0 Nb Nb7 1 0.80642706 0.19357294 0.80642706 1.0 Nb Nb8 1 0.19357294 0.80642706 0.80642706 1.0 Nb Nb9 1 0.80642706 0.80642706 0.19357294 1.0 Nb Nb10 1 0.19357294 0.80642706 0.19357294 1.0 Nb Nb11 1 0.80642706 0.19357294 0.19357294 1.0 Zn Zn12 1 0.41766783 0.41766783 0.74699552 1.0 Zn Zn13 1 0.41766783 0.74699552 0.41766783 1.0 Zn Zn14 1 0.74699552 0.41766783 0.41766783 1.0 Zn Zn15 1 0.41766783 0.41766783 0.41766783 1.0 Zn Zn16 1 0.83233217 0.83233217 0.50300448 1.0 Zn Zn17 1 0.83233217 0.50300448 0.83233217 1.0 Zn Zn18 1 0.50300448 0.83233217 0.83233217 1.0 Zn Zn19 1 0.83233217 0.83233217 0.83233217 1.0 Zn Zn20 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn21 1 0.62500000 0.12500000 0.62500000 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 0.25000000 0.25000000 0.25000000 1.0 O O25 1 0.00000000 0.00000000 0.00000000 1.0