# generated using pymatgen data_Nb4Cu2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33182674 _cell_length_b 8.33182713 _cell_length_c 8.33182568 _cell_angle_alpha 59.99999787 _cell_angle_beta 59.99999634 _cell_angle_gamma 60.00000136 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4Cu2C _chemical_formula_sum 'Nb16 Cu8 C4' _cell_volume 408.98336483 _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 0.12500000 0.62500000 0.62500000 1.0 Nb Nb1 1 0.62500000 0.12500000 0.62500000 1.0 Nb Nb2 1 0.62500000 0.62500000 0.12500000 1.0 Nb Nb3 1 0.62500000 0.62500000 0.62500000 1.0 Nb Nb4 1 0.81546023 0.81546023 0.18453977 1.0 Nb Nb5 1 0.18453977 0.18453977 0.81546023 1.0 Nb Nb6 1 0.81546023 0.18453977 0.81546023 1.0 Nb Nb7 1 0.18453977 0.81546023 0.18453977 1.0 Nb Nb8 1 0.18453977 0.81546023 0.81546023 1.0 Nb Nb9 1 0.81546023 0.18453977 0.18453977 1.0 Nb Nb10 1 0.43453977 0.43453977 0.06546023 1.0 Nb Nb11 1 0.06546023 0.06546023 0.43453977 1.0 Nb Nb12 1 0.43453977 0.06546023 0.43453977 1.0 Nb Nb13 1 0.06546023 0.43453977 0.06546023 1.0 Nb Nb14 1 0.06546023 0.43453977 0.43453977 1.0 Nb Nb15 1 0.43453977 0.06546023 0.06546023 1.0 Cu Cu16 1 0.74635863 0.41788046 0.41788046 1.0 Cu Cu17 1 0.41788046 0.74635863 0.41788046 1.0 Cu Cu18 1 0.41788046 0.41788046 0.74635863 1.0 Cu Cu19 1 0.41788046 0.41788046 0.41788046 1.0 Cu Cu20 1 0.50364137 0.83211954 0.83211954 1.0 Cu Cu21 1 0.83211954 0.50364137 0.83211954 1.0 Cu Cu22 1 0.83211954 0.83211954 0.50364137 1.0 Cu Cu23 1 0.83211954 0.83211954 0.83211954 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