# generated using pymatgen data_Tb(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80990836 _cell_length_b 6.80990836 _cell_length_c 9.08028384 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.00593697 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb(Al5Ru)2 _chemical_formula_sum 'Tb2 Al20 Ru4' _cell_volume 417.95270578 _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 Tb Tb0 1 0.87343863 0.12656137 0.75000000 1.0 Tb Tb1 1 0.12656137 0.87343863 0.25000000 1.0 Al Al2 1 0.62331661 0.37668339 0.55008344 1.0 Al Al3 1 0.37668339 0.62331661 0.44991656 1.0 Al Al4 1 0.37668339 0.62331661 0.05008344 1.0 Al Al5 1 0.62331661 0.37668339 0.94991656 1.0 Al Al6 1 0.22690549 0.22690549 0.50000000 1.0 Al Al7 1 0.77309451 0.77309451 0.50000000 1.0 Al Al8 1 0.77309451 0.77309451 0.00000000 1.0 Al Al9 1 0.22690549 0.22690549 0.00000000 1.0 Al Al10 1 0.84171149 0.15828851 0.10053894 1.0 Al Al11 1 0.15828851 0.84171149 0.89946106 1.0 Al Al12 1 0.15828851 0.84171149 0.60053894 1.0 Al Al13 1 0.84171149 0.15828851 0.39946106 1.0 Al Al14 1 0.86004750 0.58945256 0.75000000 1.0 Al Al15 1 0.13995250 0.41054744 0.25000000 1.0 Al Al16 1 0.41054744 0.13995250 0.75000000 1.0 Al Al17 1 0.58945256 0.86004750 0.25000000 1.0 Al Al18 1 0.21928108 0.48105570 0.75000000 1.0 Al Al19 1 0.78071892 0.51894430 0.25000000 1.0 Al Al20 1 0.51894430 0.78071892 0.75000000 1.0 Al Al21 1 0.48105570 0.21928108 0.25000000 1.0 Ru Ru22 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru23 1 0.00000000 0.50000000 0.00000000 1.0 Ru Ru24 1 0.50000000 -0.00000000 0.00000000 1.0 Ru Ru25 1 0.50000000 -0.00000000 0.50000000 1.0