# generated using pymatgen data_Nb3GaAuC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13681688 _cell_length_b 7.13681688 _cell_length_c 7.13681688 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3GaAuC _chemical_formula_sum 'Nb12 Ga4 Au4 C4' _cell_volume 363.50773775 _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 0.78739598 0.95583260 0.38066239 1.0 Nb Nb1 1 0.71260402 0.04416740 0.88066239 1.0 Nb Nb2 1 0.21260402 0.45583260 0.11933761 1.0 Nb Nb3 1 0.28739598 0.54416740 0.61933761 1.0 Nb Nb4 1 0.95583260 0.38066239 0.78739598 1.0 Nb Nb5 1 0.04416740 0.88066239 0.71260402 1.0 Nb Nb6 1 0.45583260 0.11933761 0.21260402 1.0 Nb Nb7 1 0.54416740 0.61933761 0.28739598 1.0 Nb Nb8 1 0.38066239 0.78739598 0.95583260 1.0 Nb Nb9 1 0.88066239 0.71260402 0.04416740 1.0 Nb Nb10 1 0.11933761 0.21260402 0.45583260 1.0 Nb Nb11 1 0.61933761 0.28739598 0.54416740 1.0 Ga Ga12 1 0.57043886 0.42956114 0.92956114 1.0 Ga Ga13 1 0.42956114 0.92956114 0.57043886 1.0 Ga Ga14 1 0.92956114 0.57043886 0.42956114 1.0 Ga Ga15 1 0.07043886 0.07043886 0.07043886 1.0 Au Au16 1 0.17875217 0.82124783 0.32124783 1.0 Au Au17 1 0.32124783 0.17875217 0.82124783 1.0 Au Au18 1 0.82124783 0.32124783 0.17875217 1.0 Au Au19 1 0.67875217 0.67875217 0.67875217 1.0 C C20 1 0.87358509 0.12641491 0.62641491 1.0 C C21 1 0.62641491 0.87358509 0.12641491 1.0 C C22 1 0.12641491 0.62641491 0.87358509 1.0 C C23 1 0.37358509 0.37358509 0.37358509 1.0