# generated using pymatgen data_Nb6Cu6O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99332095 _cell_length_b 7.99332067 _cell_length_c 7.99332098 _cell_angle_alpha 59.99999872 _cell_angle_beta 59.99999989 _cell_angle_gamma 59.99999875 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Cu6O _chemical_formula_sum 'Nb12 Cu12 O2' _cell_volume 361.13263245 _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 0.05264761 0.05264761 0.44735239 1.0 Nb Nb1 1 0.44735239 0.05264761 0.44735239 1.0 Nb Nb2 1 0.05264761 0.44735239 0.44735239 1.0 Nb Nb3 1 0.44735239 0.44735239 0.05264761 1.0 Nb Nb4 1 0.05264761 0.44735239 0.05264761 1.0 Nb Nb5 1 0.44735239 0.05264761 0.05264761 1.0 Nb Nb6 1 0.19735239 0.19735239 0.80264761 1.0 Nb Nb7 1 0.80264761 0.19735239 0.80264761 1.0 Nb Nb8 1 0.19735239 0.80264761 0.80264761 1.0 Nb Nb9 1 0.80264761 0.80264761 0.19735239 1.0 Nb Nb10 1 0.19735239 0.80264761 0.19735239 1.0 Nb Nb11 1 0.80264761 0.19735239 0.19735239 1.0 Cu Cu12 1 0.41935887 0.41935887 0.74192439 1.0 Cu Cu13 1 0.41935887 0.74192439 0.41935887 1.0 Cu Cu14 1 0.74192439 0.41935887 0.41935887 1.0 Cu Cu15 1 0.41935887 0.41935887 0.41935887 1.0 Cu Cu16 1 0.83064113 0.83064113 0.50807561 1.0 Cu Cu17 1 0.83064113 0.50807561 0.83064113 1.0 Cu Cu18 1 0.50807561 0.83064113 0.83064113 1.0 Cu Cu19 1 0.83064113 0.83064113 0.83064113 1.0 Cu Cu20 1 0.62500000 0.62500000 0.12500000 1.0 Cu Cu21 1 0.62500000 0.12500000 0.62500000 1.0 Cu Cu22 1 0.12500000 0.62500000 0.62500000 1.0 Cu Cu23 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