# generated using pymatgen data_KAc(NdB12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20748991 _cell_length_b 7.20748984 _cell_length_c 5.90277562 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.33819898 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAc(NdB12)2 _chemical_formula_sum 'K1 Ac1 Nd2 B24' _cell_volume 289.33652600 _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 K K0 1 0.00018718 0.99981282 0.00000000 1.0 Ac Ac1 1 0.75224320 0.24775680 0.50000000 1.0 Nd Nd2 1 0.49803166 0.50196834 0.00000000 1.0 Nd Nd3 1 0.24817196 0.75182804 0.50000000 1.0 B B4 1 0.17768752 0.32618369 0.64997847 1.0 B B5 1 0.92532653 0.57564778 0.14817435 1.0 B B6 1 0.67381631 0.82231248 0.64997847 1.0 B B7 1 0.42435222 0.07467347 0.14817435 1.0 B B8 1 0.17768752 0.32618369 0.35002153 1.0 B B9 1 0.92532653 0.57564778 0.85182565 1.0 B B10 1 0.67381631 0.82231248 0.35002153 1.0 B B11 1 0.42435222 0.07467347 0.85182565 1.0 B B12 1 0.40026289 0.39972902 0.50000000 1.0 B B13 1 0.14848272 0.65159078 0.00000000 1.0 B B14 1 0.89868245 0.89835844 0.50000000 1.0 B B15 1 0.64996551 0.14730933 0.00000000 1.0 B B16 1 0.32471630 0.17586445 0.64992293 1.0 B B17 1 0.07728560 0.42683954 0.14819074 1.0 B B18 1 0.82413555 0.67528370 0.64992293 1.0 B B19 1 0.57316046 0.92271440 0.14819074 1.0 B B20 1 0.10164156 0.10131755 0.50000000 1.0 B B21 1 0.85269067 0.35003449 0.00000000 1.0 B B22 1 0.60027098 0.59973711 0.50000000 1.0 B B23 1 0.34840922 0.85151728 0.00000000 1.0 B B24 1 0.32471630 0.17586445 0.35007707 1.0 B B25 1 0.07728560 0.42683954 0.85180926 1.0 B B26 1 0.82413555 0.67528370 0.35007707 1.0 B B27 1 0.57316046 0.92271440 0.85180926 1.0