# generated using pymatgen data_GdScAlB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53186481 _cell_length_b 9.06879331 _cell_length_c 11.44556172 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdScAlB6 _chemical_formula_sum 'Gd4 Sc4 Al4 B24' _cell_volume 366.59850336 _cell_formula_units_Z 4 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 Gd Gd0 1 0.00000000 0.82068294 0.08607275 1.0 Gd Gd1 1 0.00000000 0.17931706 0.91392725 1.0 Gd Gd2 1 0.00000000 0.32068294 0.41392725 1.0 Gd Gd3 1 0.00000000 0.67931706 0.58607275 1.0 Sc Sc4 1 0.00000000 0.44500718 0.12765368 1.0 Sc Sc5 1 0.00000000 0.55499282 0.87234632 1.0 Sc Sc6 1 0.00000000 0.94500718 0.37234632 1.0 Sc Sc7 1 0.00000000 0.05499282 0.62765368 1.0 Al Al8 1 0.00000000 0.14204021 0.18143515 1.0 Al Al9 1 0.00000000 0.85795979 0.81856485 1.0 Al Al10 1 0.00000000 0.64204021 0.31856485 1.0 Al Al11 1 0.00000000 0.35795979 0.68143515 1.0 B B12 1 0.50000000 0.05228728 0.06554280 1.0 B B13 1 0.50000000 0.94771272 0.93445720 1.0 B B14 1 0.50000000 0.55228728 0.43445720 1.0 B B15 1 0.50000000 0.44771272 0.56554280 1.0 B B16 1 0.50000000 0.25561813 0.08130966 1.0 B B17 1 0.50000000 0.74438187 0.91869034 1.0 B B18 1 0.50000000 0.75561813 0.41869034 1.0 B B19 1 0.50000000 0.24438187 0.58130966 1.0 B B20 1 0.50000000 0.29837621 0.23594651 1.0 B B21 1 0.50000000 0.70162379 0.76405349 1.0 B B22 1 0.50000000 0.79837621 0.26405349 1.0 B B23 1 0.50000000 0.20162379 0.73594651 1.0 B B24 1 0.50000000 0.12922590 0.31861227 1.0 B B25 1 0.50000000 0.87077410 0.68138773 1.0 B B26 1 0.50000000 0.62922590 0.18138773 1.0 B B27 1 0.50000000 0.37077410 0.81861227 1.0 B B28 1 0.50000000 0.47993040 0.28523972 1.0 B B29 1 0.50000000 0.52006960 0.71476028 1.0 B B30 1 0.50000000 0.97993040 0.21476028 1.0 B B31 1 0.50000000 0.02006960 0.78523972 1.0 B B32 1 0.50000000 0.09746275 0.47350493 1.0 B B33 1 0.50000000 0.90253725 0.52649507 1.0 B B34 1 0.50000000 0.59746275 0.02649507 1.0 B B35 1 0.50000000 0.40253725 0.97350493 1.0