# generated using pymatgen data_Pa2Nb8Zn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.91254202 _cell_length_b 9.91254202 _cell_length_c 5.40592492 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Nb8Zn5 _chemical_formula_sum 'Pa4 Nb16 Zn10' _cell_volume 531.17801636 _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 Pa Pa0 1 0.39515549 0.39515549 0.00000000 1.0 Pa Pa1 1 0.89515549 0.10484451 0.50000000 1.0 Pa Pa2 1 0.10484451 0.89515549 0.50000000 1.0 Pa Pa3 1 0.60484451 0.60484451 0.00000000 1.0 Nb Nb4 1 0.13055237 0.46235043 0.00000000 1.0 Nb Nb5 1 0.96235043 0.36944763 0.50000000 1.0 Nb Nb6 1 0.03764957 0.63055237 0.50000000 1.0 Nb Nb7 1 0.86944763 0.53764957 0.00000000 1.0 Nb Nb8 1 0.36944763 0.96235043 0.50000000 1.0 Nb Nb9 1 0.63055237 0.03764957 0.50000000 1.0 Nb Nb10 1 0.46235043 0.13055237 0.00000000 1.0 Nb Nb11 1 0.53764957 0.86944763 0.00000000 1.0 Nb Nb12 1 0.18425500 0.18425500 0.25023001 1.0 Nb Nb13 1 0.68425500 0.31574500 0.75023001 1.0 Nb Nb14 1 0.31574500 0.68425500 0.75023001 1.0 Nb Nb15 1 0.81574500 0.81574500 0.25023001 1.0 Nb Nb16 1 0.31574500 0.68425500 0.24976999 1.0 Nb Nb17 1 0.68425500 0.31574500 0.24976999 1.0 Nb Nb18 1 0.18425500 0.18425500 0.74976999 1.0 Nb Nb19 1 0.81574500 0.81574500 0.74976999 1.0 Zn Zn20 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn21 1 0.50000000 0.50000000 0.50000000 1.0 Zn Zn22 1 0.26203734 0.93414741 0.00000000 1.0 Zn Zn23 1 0.43414741 0.23796266 0.50000000 1.0 Zn Zn24 1 0.56585259 0.76203734 0.50000000 1.0 Zn Zn25 1 0.73796266 0.06585259 0.00000000 1.0 Zn Zn26 1 0.23796266 0.43414741 0.50000000 1.0 Zn Zn27 1 0.76203734 0.56585259 0.50000000 1.0 Zn Zn28 1 0.93414741 0.26203734 0.00000000 1.0 Zn Zn29 1 0.06585259 0.73796266 0.00000000 1.0