# generated using pymatgen data_Tm4ScIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.50131870 _cell_length_b 10.50131870 _cell_length_c 6.25390351 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4ScIr2Ru _chemical_formula_sum 'Tm16 Sc4 Ir8 Ru4' _cell_volume 689.66606118 _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 0.29043876 0.08459137 0.37597443 1.0 Tm Tm1 1 0.29043876 0.91540863 0.87597443 1.0 Tm Tm2 1 0.70956124 0.08459137 0.87597443 1.0 Tm Tm3 1 0.70956124 0.91540863 0.37597443 1.0 Tm Tm4 1 0.58459137 0.79043876 0.87597443 1.0 Tm Tm5 1 0.58459137 0.20956124 0.37597443 1.0 Tm Tm6 1 0.41540863 0.79043876 0.37597443 1.0 Tm Tm7 1 0.41540863 0.20956124 0.87597443 1.0 Tm Tm8 1 0.20956124 0.41540863 0.62402557 1.0 Tm Tm9 1 0.20956124 0.58459137 0.12402557 1.0 Tm Tm10 1 0.79043876 0.41540863 0.12402557 1.0 Tm Tm11 1 0.79043876 0.58459137 0.62402557 1.0 Tm Tm12 1 0.91540863 0.70956124 0.12402557 1.0 Tm Tm13 1 0.91540863 0.29043876 0.62402557 1.0 Tm Tm14 1 0.08459137 0.70956124 0.62402557 1.0 Tm Tm15 1 0.08459137 0.29043876 0.12402557 1.0 Sc Sc16 1 0.00000000 0.00000000 0.50000000 1.0 Sc Sc17 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc18 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85122187 0.14877813 0.25000000 1.0 Ir Ir21 1 0.85122187 0.85122187 0.75000000 1.0 Ir Ir22 1 0.14877813 0.14877813 0.75000000 1.0 Ir Ir23 1 0.14877813 0.85122187 0.25000000 1.0 Ir Ir24 1 0.64877813 0.35122187 0.75000000 1.0 Ir Ir25 1 0.64877813 0.64877813 0.25000000 1.0 Ir Ir26 1 0.35122187 0.35122187 0.25000000 1.0 Ir Ir27 1 0.35122187 0.64877813 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.12699816 1.0 Ru Ru29 1 0.50000000 0.00000000 0.62699816 1.0 Ru Ru30 1 0.00000000 0.50000000 0.87300184 1.0 Ru Ru31 1 0.00000000 0.50000000 0.37300184 1.0