# generated using pymatgen data_Tm(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79239889 _cell_length_b 6.79239861 _cell_length_c 9.05030130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.90168601 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm(Al5Ru)2 _chemical_formula_sum 'Tm2 Al20 Ru4' _cell_volume 414.52520736 _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 Tm Tm0 1 0.87177424 0.12822576 0.75000000 1.0 Tm Tm1 1 0.12822576 0.87177424 0.25000000 1.0 Al Al2 1 0.62355047 0.37644953 0.54908932 1.0 Al Al3 1 0.37644953 0.62355047 0.45091068 1.0 Al Al4 1 0.37644953 0.62355047 0.04908932 1.0 Al Al5 1 0.62355047 0.37644953 0.95091068 1.0 Al Al6 1 0.22607822 0.22607822 0.50000000 1.0 Al Al7 1 0.77392178 0.77392178 0.50000000 1.0 Al Al8 1 0.77392178 0.77392178 0.00000000 1.0 Al Al9 1 0.22607822 0.22607822 0.00000000 1.0 Al Al10 1 0.84385590 0.15614410 0.09991407 1.0 Al Al11 1 0.15614410 0.84385590 0.90008593 1.0 Al Al12 1 0.15614410 0.84385590 0.59991407 1.0 Al Al13 1 0.84385590 0.15614410 0.40008593 1.0 Al Al14 1 0.85897185 0.58846981 0.75000000 1.0 Al Al15 1 0.14102815 0.41153019 0.25000000 1.0 Al Al16 1 0.41153019 0.14102815 0.75000000 1.0 Al Al17 1 0.58846981 0.85897185 0.25000000 1.0 Al Al18 1 0.21871562 0.48034800 0.75000000 1.0 Al Al19 1 0.78128438 0.51965200 0.25000000 1.0 Al Al20 1 0.51965200 0.78128438 0.75000000 1.0 Al Al21 1 0.48034800 0.21871562 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