# generated using pymatgen data_Nb4AlC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16040250 _cell_length_b 3.16040250 _cell_length_c 24.36537800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001055 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4AlC3 _chemical_formula_sum 'Nb8 Al2 C6' _cell_volume 210.76016664 _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 0.00000000 0.00000000 0.34276600 1.0 Nb Nb1 1 0.00000000 0.00000000 0.84276600 1.0 Nb Nb2 1 0.00000000 0.00000000 0.65723400 1.0 Nb Nb3 1 0.00000000 0.00000000 0.15723400 1.0 Nb Nb4 1 0.33333300 0.66666700 0.44481900 1.0 Nb Nb5 1 0.66666700 0.33333300 0.94481900 1.0 Nb Nb6 1 0.66666700 0.33333300 0.55518100 1.0 Nb Nb7 1 0.33333300 0.66666700 0.05518100 1.0 Al Al8 1 0.66666700 0.33333300 0.75000000 1.0 Al Al9 1 0.33333300 0.66666700 0.25000000 1.0 C C10 1 0.66666700 0.33333300 0.39130000 1.0 C C11 1 0.33333300 0.66666700 0.89130000 1.0 C C12 1 0.33333300 0.66666700 0.60870000 1.0 C C13 1 0.00000000 0.00000000 0.00000000 1.0 C C14 1 0.66666700 0.33333300 0.10870000 1.0 C C15 1 0.00000000 0.00000000 0.50000000 1.0