# generated using pymatgen data_Nb3Al2PdC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36971947 _cell_length_b 8.36971957 _cell_length_c 8.36971772 _cell_angle_alpha 59.99999556 _cell_angle_beta 59.99999515 _cell_angle_gamma 59.99999265 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Al2PdC _chemical_formula_sum 'Nb12 Al8 Pd4 C4' _cell_volume 414.58880209 _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 0.56793627 0.93206373 0.56793627 1.0 Nb Nb1 1 0.31793627 0.68206373 0.68206373 1.0 Nb Nb2 1 0.68206373 0.31793627 0.31793627 1.0 Nb Nb3 1 0.31793627 0.68206373 0.31793627 1.0 Nb Nb4 1 0.68206373 0.68206373 0.31793627 1.0 Nb Nb5 1 0.31793627 0.31793627 0.68206373 1.0 Nb Nb6 1 0.56793627 0.56793627 0.93206373 1.0 Nb Nb7 1 0.93206373 0.56793627 0.56793627 1.0 Nb Nb8 1 0.56793627 0.93206373 0.93206373 1.0 Nb Nb9 1 0.93206373 0.93206373 0.56793627 1.0 Nb Nb10 1 0.68206373 0.31793627 0.68206373 1.0 Nb Nb11 1 0.93206373 0.56793627 0.93206373 1.0 Al Al12 1 0.91656309 0.91656309 0.91656309 1.0 Al Al13 1 0.99968828 0.33343691 0.33343691 1.0 Al Al14 1 0.33343691 0.99968828 0.33343691 1.0 Al Al15 1 0.33343691 0.33343691 0.99968828 1.0 Al Al16 1 0.91656309 0.25031172 0.91656309 1.0 Al Al17 1 0.91656309 0.91656309 0.25031172 1.0 Al Al18 1 0.25031172 0.91656309 0.91656309 1.0 Al Al19 1 0.33343691 0.33343691 0.33343691 1.0 Pd Pd20 1 0.12500000 0.12500000 0.12500000 1.0 Pd Pd21 1 0.62500000 0.12500000 0.12500000 1.0 Pd Pd22 1 0.12500000 0.62500000 0.12500000 1.0 Pd Pd23 1 0.12500000 0.12500000 0.62500000 1.0 C C24 1 0.62500000 0.62500000 0.62500000 1.0 C C25 1 0.12500000 0.62500000 0.62500000 1.0 C C26 1 0.62500000 0.12500000 0.62500000 1.0 C C27 1 0.62500000 0.62500000 0.12500000 1.0