# generated using pymatgen data_Tm4MgIrAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.93103005 _cell_length_b 10.93103005 _cell_length_c 6.10419880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4MgIrAu2 _chemical_formula_sum 'Tm16 Mg4 Ir4 Au8' _cell_volume 729.37495349 _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 0.29391920 0.08271386 0.35858445 1.0 Tm Tm1 1 0.29391920 0.91728614 0.85858445 1.0 Tm Tm2 1 0.70608080 0.08271386 0.85858445 1.0 Tm Tm3 1 0.70608080 0.91728614 0.35858445 1.0 Tm Tm4 1 0.58271386 0.79391920 0.85858445 1.0 Tm Tm5 1 0.58271386 0.20608080 0.35858445 1.0 Tm Tm6 1 0.41728614 0.79391920 0.35858445 1.0 Tm Tm7 1 0.41728614 0.20608080 0.85858445 1.0 Tm Tm8 1 0.20608080 0.41728614 0.64141555 1.0 Tm Tm9 1 0.20608080 0.58271386 0.14141555 1.0 Tm Tm10 1 0.79391920 0.41728614 0.14141555 1.0 Tm Tm11 1 0.79391920 0.58271386 0.64141555 1.0 Tm Tm12 1 0.91728614 0.70608080 0.14141555 1.0 Tm Tm13 1 0.91728614 0.29391920 0.64141555 1.0 Tm Tm14 1 0.08271386 0.70608080 0.64141555 1.0 Tm Tm15 1 0.08271386 0.29391920 0.14141555 1.0 Mg Mg16 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg17 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg18 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.50000000 0.00000000 0.10723800 1.0 Ir Ir21 1 0.50000000 0.00000000 0.60723800 1.0 Ir Ir22 1 0.00000000 0.50000000 0.89276200 1.0 Ir Ir23 1 0.00000000 0.50000000 0.39276200 1.0 Au Au24 1 0.84670258 0.15329742 0.25000000 1.0 Au Au25 1 0.84670258 0.84670258 0.75000000 1.0 Au Au26 1 0.15329742 0.15329742 0.75000000 1.0 Au Au27 1 0.15329742 0.84670258 0.25000000 1.0 Au Au28 1 0.65329742 0.34670258 0.75000000 1.0 Au Au29 1 0.65329742 0.65329742 0.25000000 1.0 Au Au30 1 0.34670258 0.34670258 0.25000000 1.0 Au Au31 1 0.34670258 0.65329742 0.75000000 1.0