# generated using pymatgen data_ThAl10FeRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78938138 _cell_length_b 6.78938119 _cell_length_c 9.08511849 _cell_angle_alpha 90.11767792 _cell_angle_beta 90.11767927 _cell_angle_gamma 97.78350490 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThAl10FeRh _chemical_formula_sum 'Th2 Al20 Fe2 Rh2' _cell_volume 414.92453661 _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 Th Th0 1 0.87601607 0.12398393 0.75000000 1.0 Th Th1 1 0.12398393 0.87601607 0.25000000 1.0 Al Al2 1 0.51823528 0.77635502 0.74441387 1.0 Al Al3 1 0.48176472 0.22364498 0.25558613 1.0 Al Al4 1 0.59641670 0.86345088 0.25331775 1.0 Al Al5 1 0.77833679 0.77181209 0.00232756 1.0 Al Al6 1 0.16293333 0.84521007 0.60106128 1.0 Al Al7 1 0.22166321 0.22818791 0.99767244 1.0 Al Al8 1 0.13654912 0.40358330 0.24668225 1.0 Al Al9 1 0.62646370 0.38096837 0.95021193 1.0 Al Al10 1 0.84521007 0.16293333 0.10106128 1.0 Al Al11 1 0.38096837 0.62646370 0.45021193 1.0 Al Al12 1 0.15478993 0.83706667 0.89893872 1.0 Al Al13 1 0.22364498 0.48176472 0.75558613 1.0 Al Al14 1 0.37353630 0.61903163 0.04978807 1.0 Al Al15 1 0.83706667 0.15478993 0.39893872 1.0 Al Al16 1 0.61903163 0.37353630 0.54978807 1.0 Al Al17 1 0.40358330 0.13654912 0.74668225 1.0 Al Al18 1 0.77635502 0.51823528 0.24441387 1.0 Al Al19 1 0.77181209 0.77833679 0.50232756 1.0 Al Al20 1 0.22818791 0.22166321 0.49767244 1.0 Al Al21 1 0.86345088 0.59641670 0.75331775 1.0 Fe Fe22 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe23 1 0.50000000 0.00000000 0.50000000 1.0 Rh Rh24 1 0.00000000 0.50000000 0.50000000 1.0 Rh Rh25 1 0.50000000 0.00000000 0.00000000 1.0