# generated using pymatgen data_Pa2Nb8Al5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98249222 _cell_length_b 9.98249222 _cell_length_c 5.48373608 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Nb8Al5 _chemical_formula_sum 'Pa4 Nb16 Al10' _cell_volume 546.45512804 _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 0.39570562 0.39570562 0.00000000 1.0 Pa Pa1 1 0.89570562 0.10429438 0.50000000 1.0 Pa Pa2 1 0.10429438 0.89570562 0.50000000 1.0 Pa Pa3 1 0.60429438 0.60429438 0.00000000 1.0 Nb Nb4 1 0.13445089 0.46275725 0.00000000 1.0 Nb Nb5 1 0.96275725 0.36554911 0.50000000 1.0 Nb Nb6 1 0.03724275 0.63445089 0.50000000 1.0 Nb Nb7 1 0.86554911 0.53724275 0.00000000 1.0 Nb Nb8 1 0.36554911 0.96275725 0.50000000 1.0 Nb Nb9 1 0.63445089 0.03724275 0.50000000 1.0 Nb Nb10 1 0.46275725 0.13445089 0.00000000 1.0 Nb Nb11 1 0.53724275 0.86554911 0.00000000 1.0 Nb Nb12 1 0.18368159 0.18368159 0.25024624 1.0 Nb Nb13 1 0.68368159 0.31631841 0.75024624 1.0 Nb Nb14 1 0.31631841 0.68368159 0.75024624 1.0 Nb Nb15 1 0.81631841 0.81631841 0.25024624 1.0 Nb Nb16 1 0.31631841 0.68368159 0.24975376 1.0 Nb Nb17 1 0.68368159 0.31631841 0.24975376 1.0 Nb Nb18 1 0.18368159 0.18368159 0.74975376 1.0 Nb Nb19 1 0.81631841 0.81631841 0.74975376 1.0 Al Al20 1 0.00000000 0.00000000 0.00000000 1.0 Al Al21 1 0.50000000 0.50000000 0.50000000 1.0 Al Al22 1 0.26850183 0.93559563 0.00000000 1.0 Al Al23 1 0.43559563 0.23149817 0.50000000 1.0 Al Al24 1 0.56440437 0.76850183 0.50000000 1.0 Al Al25 1 0.73149817 0.06440437 0.00000000 1.0 Al Al26 1 0.23149817 0.43559563 0.50000000 1.0 Al Al27 1 0.76850183 0.56440437 0.50000000 1.0 Al Al28 1 0.93559563 0.26850183 0.00000000 1.0 Al Al29 1 0.06440437 0.73149817 0.00000000 1.0