# generated using pymatgen data_Tm5Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.72812722 _cell_length_b 12.72812668 _cell_length_c 3.94991220 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999375 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Si12Ir19 _chemical_formula_sum 'Tm5 Si12 Ir19' _cell_volume 554.17521430 _cell_formula_units_Z 1 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 0.33333300 0.66666700 0.50000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Tm Tm2 1 0.18445208 0.18445208 0.00000000 1.0 Tm Tm3 1 0.81554792 1.00000000 0.00000000 1.0 Tm Tm4 1 1.00000000 0.81554792 0.00000000 1.0 Si Si5 1 0.31186322 0.83112278 0.00000000 1.0 Si Si6 1 0.16887722 0.48074044 0.00000000 1.0 Si Si7 1 0.51925956 0.68813678 0.00000000 1.0 Si Si8 1 0.83112278 0.31186322 0.00000000 1.0 Si Si9 1 0.48074044 0.16887722 0.00000000 1.0 Si Si10 1 0.68813678 0.51925956 0.00000000 1.0 Si Si11 1 0.36784008 0.36784008 0.50000000 1.0 Si Si12 1 0.63215992 0.00000000 0.50000000 1.0 Si Si13 1 0.00000000 0.63215992 0.50000000 1.0 Si Si14 1 0.81929209 0.81929209 0.50000000 1.0 Si Si15 1 0.18070791 1.00000000 0.50000000 1.0 Si Si16 1 1.00000000 0.18070791 0.50000000 1.0 Ir Ir17 1 0.19362792 0.81712496 0.50000000 1.0 Ir Ir18 1 0.18287504 0.37650296 0.50000000 1.0 Ir Ir19 1 0.62349704 0.80637208 0.50000000 1.0 Ir Ir20 1 0.81712496 0.19362792 0.50000000 1.0 Ir Ir21 1 0.37650296 0.18287504 0.50000000 1.0 Ir Ir22 1 0.80637208 0.62349704 0.50000000 1.0 Ir Ir23 1 0.12702314 0.63843112 0.00000000 1.0 Ir Ir24 1 0.36156888 0.48859102 0.00000000 1.0 Ir Ir25 1 0.51140898 0.87297686 0.00000000 1.0 Ir Ir26 1 0.63843112 0.12702314 0.00000000 1.0 Ir Ir27 1 0.48859102 0.36156888 0.00000000 1.0 Ir Ir28 1 0.87297686 0.51140898 0.00000000 1.0 Ir Ir29 1 0.55294267 0.55294267 0.50000000 1.0 Ir Ir30 1 0.44705733 1.00000000 0.50000000 1.0 Ir Ir31 1 1.00000000 0.44705733 0.50000000 1.0 Ir Ir32 1 0.71786072 0.71786072 0.00000000 1.0 Ir Ir33 1 0.28213928 1.00000000 0.00000000 1.0 Ir Ir34 1 1.00000000 0.28213928 0.00000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0