# generated using pymatgen data_TaNb23(AlAs5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51926975 _cell_length_b 12.07902873 _cell_length_c 14.82136115 _cell_angle_alpha 89.63204755 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaNb23(AlAs5)2 _chemical_formula_sum 'Ta1 Nb23 Al2 As10' _cell_volume 630.03359047 _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 Ta Ta0 1 0.50000000 0.02598766 0.39001338 1.0 Nb Nb1 1 0.00000000 0.18244241 0.29381160 1.0 Nb Nb2 1 0.00000000 0.52603297 0.10984220 1.0 Nb Nb3 1 0.50000000 0.91006703 0.07777995 1.0 Nb Nb4 1 0.00000000 0.88713649 0.92742977 1.0 Nb Nb5 1 0.00000000 0.85984948 0.47724258 1.0 Nb Nb6 1 0.50000000 0.68723970 0.20521517 1.0 Nb Nb7 1 0.50000000 0.38811031 0.57293455 1.0 Nb Nb8 1 0.00000000 0.58776328 0.57685861 1.0 Nb Nb9 1 0.50000000 0.61191603 0.42693065 1.0 Nb Nb10 1 0.00000000 0.08929450 0.75838310 1.0 Nb Nb11 1 0.50000000 0.64196462 0.97759637 1.0 Nb Nb12 1 0.00000000 0.13975210 0.52214739 1.0 Nb Nb13 1 0.00000000 0.41196183 0.42303203 1.0 Nb Nb14 1 0.50000000 0.41168922 0.25948966 1.0 Nb Nb15 1 0.50000000 0.58831676 0.74040717 1.0 Nb Nb16 1 0.50000000 0.97421055 0.60992855 1.0 Nb Nb17 1 0.50000000 0.35788013 0.02240387 1.0 Nb Nb18 1 0.00000000 0.11272229 0.07279176 1.0 Nb Nb19 1 0.50000000 0.08998941 0.92230477 1.0 Nb Nb20 1 0.00000000 0.47399158 0.89027123 1.0 Nb Nb21 1 0.00000000 0.81722148 0.70629674 1.0 Nb Nb22 1 0.50000000 0.31279158 0.79472152 1.0 Nb Nb23 1 0.00000000 0.91165043 0.24238243 1.0 Al Al24 1 0.50000000 0.74765653 0.58473946 1.0 Al Al25 1 0.50000000 0.25211138 0.41508070 1.0 As As26 1 0.00000000 0.42898016 0.70368610 1.0 As As27 1 0.00000000 0.24866235 0.91643754 1.0 As As28 1 0.00000000 0.30955240 0.15152660 1.0 As As29 1 0.00000000 0.57104994 0.29626917 1.0 As As30 1 0.50000000 0.19118586 0.64900403 1.0 As As31 1 0.00000000 0.75129751 0.08356395 1.0 As As32 1 0.50000000 0.80898031 0.35088103 1.0 As As33 1 0.00000000 0.69043186 0.84845829 1.0 As As34 1 0.50000000 0.07012138 0.20349912 1.0 As As35 1 0.50000000 0.92998948 0.79663797 1.0