# generated using pymatgen data_Pa2Nb8Al4Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.95730051 _cell_length_b 9.95730051 _cell_length_c 5.42624438 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Nb8Al4Ir _chemical_formula_sum 'Pa4 Nb16 Al8 Ir2' _cell_volume 538.00037417 _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 0.39851655 0.39851655 0.00000000 1.0 Pa Pa1 1 0.89851655 0.10148345 0.50000000 1.0 Pa Pa2 1 0.10148345 0.89851655 0.50000000 1.0 Pa Pa3 1 0.60148345 0.60148345 0.00000000 1.0 Nb Nb4 1 0.13381782 0.46165061 0.00000000 1.0 Nb Nb5 1 0.96165061 0.36618218 0.50000000 1.0 Nb Nb6 1 0.03834939 0.63381782 0.50000000 1.0 Nb Nb7 1 0.86618218 0.53834939 0.00000000 1.0 Nb Nb8 1 0.36618218 0.96165061 0.50000000 1.0 Nb Nb9 1 0.63381782 0.03834939 0.50000000 1.0 Nb Nb10 1 0.46165061 0.13381782 0.00000000 1.0 Nb Nb11 1 0.53834939 0.86618218 0.00000000 1.0 Nb Nb12 1 0.18450971 0.18450971 0.24959250 1.0 Nb Nb13 1 0.68450971 0.31549029 0.74959250 1.0 Nb Nb14 1 0.31549029 0.68450971 0.74959250 1.0 Nb Nb15 1 0.81549029 0.81549029 0.24959250 1.0 Nb Nb16 1 0.31549029 0.68450971 0.25040750 1.0 Nb Nb17 1 0.68450971 0.31549029 0.25040750 1.0 Nb Nb18 1 0.18450971 0.18450971 0.75040750 1.0 Nb Nb19 1 0.81549029 0.81549029 0.75040750 1.0 Al Al20 1 0.26163997 0.93659959 0.00000000 1.0 Al Al21 1 0.43659959 0.23836003 0.50000000 1.0 Al Al22 1 0.56340041 0.76163997 0.50000000 1.0 Al Al23 1 0.73836003 0.06340041 0.00000000 1.0 Al Al24 1 0.23836003 0.43659959 0.50000000 1.0 Al Al25 1 0.76163997 0.56340041 0.50000000 1.0 Al Al26 1 0.93659959 0.26163997 0.00000000 1.0 Al Al27 1 0.06340041 0.73836003 0.00000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir29 1 0.50000000 0.50000000 0.50000000 1.0