# generated using pymatgen data_Nb3AlCu2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23489481 _cell_length_b 8.23489499 _cell_length_c 8.23489401 _cell_angle_alpha 59.99999600 _cell_angle_beta 59.99999530 _cell_angle_gamma 59.99999757 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3AlCu2C _chemical_formula_sum 'Nb12 Al4 Cu8 C4' _cell_volume 394.87451050 _cell_formula_units_Z 4 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 0.81681439 0.81681439 0.18318561 1.0 Nb Nb1 1 0.18318561 0.18318561 0.81681439 1.0 Nb Nb2 1 0.81681439 0.18318561 0.81681439 1.0 Nb Nb3 1 0.18318561 0.81681439 0.18318561 1.0 Nb Nb4 1 0.18318561 0.81681439 0.81681439 1.0 Nb Nb5 1 0.81681439 0.18318561 0.18318561 1.0 Nb Nb6 1 0.43318561 0.43318561 0.06681439 1.0 Nb Nb7 1 0.06681439 0.06681439 0.43318561 1.0 Nb Nb8 1 0.43318561 0.06681439 0.43318561 1.0 Nb Nb9 1 0.06681439 0.43318561 0.06681439 1.0 Nb Nb10 1 0.06681439 0.43318561 0.43318561 1.0 Nb Nb11 1 0.43318561 0.06681439 0.06681439 1.0 Al Al12 1 0.12500000 0.62500000 0.62500000 1.0 Al Al13 1 0.62500000 0.12500000 0.62500000 1.0 Al Al14 1 0.62500000 0.62500000 0.12500000 1.0 Al Al15 1 0.62500000 0.62500000 0.62500000 1.0 Cu Cu16 1 0.74213886 0.41928738 0.41928738 1.0 Cu Cu17 1 0.41928738 0.74213886 0.41928738 1.0 Cu Cu18 1 0.41928738 0.41928738 0.74213886 1.0 Cu Cu19 1 0.41928738 0.41928738 0.41928738 1.0 Cu Cu20 1 0.50786114 0.83071262 0.83071262 1.0 Cu Cu21 1 0.83071262 0.50786114 0.83071262 1.0 Cu Cu22 1 0.83071262 0.83071262 0.50786114 1.0 Cu Cu23 1 0.83071262 0.83071262 0.83071262 1.0 C C24 1 0.62500000 0.12500000 0.12500000 1.0 C C25 1 0.12500000 0.62500000 0.12500000 1.0 C C26 1 0.12500000 0.12500000 0.62500000 1.0 C C27 1 0.12500000 0.12500000 0.12500000 1.0