# generated using pymatgen data_Tm5Ir2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.58195145 _cell_length_b 10.58195145 _cell_length_c 6.34148797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Ir2Ru _chemical_formula_sum 'Tm20 Ir8 Ru4' _cell_volume 710.10521524 _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 Tm Tm0 1 0.29331994 0.08585139 0.37799648 1.0 Tm Tm1 1 0.29331994 0.91414861 0.87799648 1.0 Tm Tm2 1 0.70668006 0.08585139 0.87799648 1.0 Tm Tm3 1 0.70668006 0.91414861 0.37799648 1.0 Tm Tm4 1 0.58585139 0.79331994 0.87799648 1.0 Tm Tm5 1 0.58585139 0.20668006 0.37799648 1.0 Tm Tm6 1 0.41414861 0.79331994 0.37799648 1.0 Tm Tm7 1 0.41414861 0.20668006 0.87799648 1.0 Tm Tm8 1 0.20668006 0.41414861 0.62200352 1.0 Tm Tm9 1 0.20668006 0.58585139 0.12200352 1.0 Tm Tm10 1 0.79331994 0.41414861 0.12200352 1.0 Tm Tm11 1 0.79331994 0.58585139 0.62200352 1.0 Tm Tm12 1 0.91414861 0.70668006 0.12200352 1.0 Tm Tm13 1 0.91414861 0.29331994 0.62200352 1.0 Tm Tm14 1 0.08585139 0.70668006 0.62200352 1.0 Tm Tm15 1 0.08585139 0.29331994 0.12200352 1.0 Tm Tm16 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm17 1 0.00000000 0.00000000 0.00000000 1.0 Tm Tm18 1 0.50000000 0.50000000 0.00000000 1.0 Tm Tm19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.84734787 0.15265213 0.25000000 1.0 Ir Ir21 1 0.84734787 0.84734787 0.75000000 1.0 Ir Ir22 1 0.15265213 0.15265213 0.75000000 1.0 Ir Ir23 1 0.15265213 0.84734787 0.25000000 1.0 Ir Ir24 1 0.65265213 0.34734787 0.75000000 1.0 Ir Ir25 1 0.65265213 0.65265213 0.25000000 1.0 Ir Ir26 1 0.34734787 0.34734787 0.25000000 1.0 Ir Ir27 1 0.34734787 0.65265213 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.12839635 1.0 Ru Ru29 1 0.50000000 0.00000000 0.62839635 1.0 Ru Ru30 1 0.00000000 0.50000000 0.87160365 1.0 Ru Ru31 1 0.00000000 0.50000000 0.37160365 1.0