# generated using pymatgen data_Nb6Al2Cu4O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07104069 _cell_length_b 8.07104024 _cell_length_c 8.07104021 _cell_angle_alpha 59.99999607 _cell_angle_beta 59.99999793 _cell_angle_gamma 59.99999442 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Al2Cu4O _chemical_formula_sum 'Nb12 Al4 Cu8 O2' _cell_volume 371.76930030 _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 0.05519291 0.05519291 0.44480709 1.0 Nb Nb1 1 0.44480709 0.05519291 0.44480709 1.0 Nb Nb2 1 0.05519291 0.44480709 0.44480709 1.0 Nb Nb3 1 0.44480709 0.44480709 0.05519291 1.0 Nb Nb4 1 0.05519291 0.44480709 0.05519291 1.0 Nb Nb5 1 0.44480709 0.05519291 0.05519291 1.0 Nb Nb6 1 0.19480709 0.19480709 0.80519291 1.0 Nb Nb7 1 0.80519291 0.19480709 0.80519291 1.0 Nb Nb8 1 0.19480709 0.80519291 0.80519291 1.0 Nb Nb9 1 0.80519291 0.80519291 0.19480709 1.0 Nb Nb10 1 0.19480709 0.80519291 0.19480709 1.0 Nb Nb11 1 0.80519291 0.19480709 0.19480709 1.0 Al Al12 1 0.62500000 0.62500000 0.12500000 1.0 Al Al13 1 0.62500000 0.12500000 0.62500000 1.0 Al Al14 1 0.12500000 0.62500000 0.62500000 1.0 Al Al15 1 0.62500000 0.62500000 0.62500000 1.0 Cu Cu16 1 0.41905042 0.41905042 0.74284875 1.0 Cu Cu17 1 0.41905042 0.74284875 0.41905042 1.0 Cu Cu18 1 0.74284875 0.41905042 0.41905042 1.0 Cu Cu19 1 0.41905042 0.41905042 0.41905042 1.0 Cu Cu20 1 0.83094958 0.83094958 0.50715125 1.0 Cu Cu21 1 0.83094958 0.50715125 0.83094958 1.0 Cu Cu22 1 0.50715125 0.83094958 0.83094958 1.0 Cu Cu23 1 0.83094958 0.83094958 0.83094958 1.0 O O24 1 0.25000000 0.25000000 0.25000000 1.0 O O25 1 0.00000000 0.00000000 0.00000000 1.0