# generated using pymatgen data_ErAlFeB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31939886 _cell_length_b 8.70706980 _cell_length_c 11.07343491 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErAlFeB6 _chemical_formula_sum 'Er4 Al4 Fe4 B24' _cell_volume 320.04704661 _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 Er Er0 1 0.00000000 0.82181294 0.08447140 1.0 Er Er1 1 0.00000000 0.17818706 0.91552860 1.0 Er Er2 1 0.00000000 0.32181294 0.41552860 1.0 Er Er3 1 0.00000000 0.67818706 0.58447140 1.0 Al Al4 1 0.00000000 0.44592337 0.12544046 1.0 Al Al5 1 0.00000000 0.55407663 0.87455954 1.0 Al Al6 1 0.00000000 0.94592337 0.37455954 1.0 Al Al7 1 0.00000000 0.05407663 0.62544046 1.0 Fe Fe8 1 0.00000000 0.14261027 0.18409760 1.0 Fe Fe9 1 0.00000000 0.85738973 0.81590240 1.0 Fe Fe10 1 0.00000000 0.64261027 0.31590240 1.0 Fe Fe11 1 0.00000000 0.35738973 0.68409760 1.0 B B12 1 0.50000000 0.05723549 0.06956785 1.0 B B13 1 0.50000000 0.94276451 0.93043215 1.0 B B14 1 0.50000000 0.55723549 0.43043215 1.0 B B15 1 0.50000000 0.44276451 0.56956785 1.0 B B16 1 0.50000000 0.25520370 0.08354942 1.0 B B17 1 0.50000000 0.74479630 0.91645058 1.0 B B18 1 0.50000000 0.75520370 0.41645058 1.0 B B19 1 0.50000000 0.24479630 0.58354942 1.0 B B20 1 0.50000000 0.29415873 0.23589344 1.0 B B21 1 0.50000000 0.70584127 0.76410656 1.0 B B22 1 0.50000000 0.79415873 0.26410656 1.0 B B23 1 0.50000000 0.20584127 0.73589344 1.0 B B24 1 0.50000000 0.12739015 0.31812130 1.0 B B25 1 0.50000000 0.87260985 0.68187870 1.0 B B26 1 0.50000000 0.62739015 0.18187870 1.0 B B27 1 0.50000000 0.37260985 0.81812130 1.0 B B28 1 0.50000000 0.48287643 0.28519582 1.0 B B29 1 0.50000000 0.51712357 0.71480418 1.0 B B30 1 0.50000000 0.98287643 0.21480418 1.0 B B31 1 0.50000000 0.01712357 0.78519582 1.0 B B32 1 0.50000000 0.09748262 0.47433257 1.0 B B33 1 0.50000000 0.90251738 0.52566743 1.0 B B34 1 0.50000000 0.59748262 0.02566743 1.0 B B35 1 0.50000000 0.40251738 0.97433257 1.0