# generated using pymatgen data_Pa4Ti3Nb3Ge8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13714137 _cell_length_b 7.05224761 _cell_length_c 7.17947524 _cell_angle_alpha 69.91976971 _cell_angle_beta 90.00555014 _cell_angle_gamma 89.97064091 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa4Ti3Nb3Ge8 _chemical_formula_sum 'Pa4 Ti3 Nb3 Ge8' _cell_volume 339.39736754 _cell_formula_units_Z 1 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 Pa Pa0 1 0.67217175 0.93960695 0.69117179 1.0 Pa Pa1 1 0.32901914 0.05942218 0.30881415 1.0 Pa Pa2 1 0.17357279 0.56023540 0.31002341 1.0 Pa Pa3 1 0.82759432 0.44083751 0.68815183 1.0 Ti Ti4 1 0.33414125 0.25553174 0.74858785 1.0 Ti Ti5 1 0.16489366 0.75475848 0.74903832 1.0 Ti Ti6 1 0.83397992 0.24364811 0.25090852 1.0 Nb Nb7 1 0.66533317 0.74541599 0.25221353 1.0 Nb Nb8 1 0.99835979 0.99952597 0.00082248 1.0 Nb Nb9 1 0.50020690 0.50095952 0.00150728 1.0 Ge Ge10 1 0.95610948 0.85450108 0.41676425 1.0 Ge Ge11 1 0.04800538 0.14711758 0.58512470 1.0 Ge Ge12 1 0.44994205 0.64562193 0.58844346 1.0 Ge Ge13 1 0.54746459 0.34977788 0.41616614 1.0 Ge Ge14 1 0.86983014 0.62927841 0.00204644 1.0 Ge Ge15 1 0.13210947 0.36821290 0.99631666 1.0 Ge Ge16 1 0.36551864 0.87085315 0.99290453 1.0 Ge Ge17 1 0.63174757 0.13469723 0.00099366 1.0