# generated using pymatgen data_Tb5Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.76845169 _cell_length_b 12.76845226 _cell_length_c 3.97269529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000106 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Si12Ir19 _chemical_formula_sum 'Tb5 Si12 Ir19' _cell_volume 560.90895978 _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 Tb Tb0 1 1.00000000 0.81506790 0.50000000 1.0 Tb Tb1 1 0.18493210 0.18493210 0.50000000 1.0 Tb Tb2 1 0.81506790 0.00000000 0.50000000 1.0 Tb Tb3 1 0.33333300 0.66666700 0.00000000 1.0 Tb Tb4 1 0.66666700 0.33333300 0.00000000 1.0 Si Si5 1 1.00000000 0.18181172 0.00000000 1.0 Si Si6 1 0.81818828 0.81818828 0.00000000 1.0 Si Si7 1 0.18181172 0.00000000 0.00000000 1.0 Si Si8 1 0.51991558 0.68843289 0.50000000 1.0 Si Si9 1 0.31156711 0.83148268 0.50000000 1.0 Si Si10 1 0.16851732 0.48008442 0.50000000 1.0 Si Si11 1 0.48008442 0.16851732 0.50000000 1.0 Si Si12 1 0.68843289 0.51991558 0.50000000 1.0 Si Si13 1 0.83148268 0.31156711 0.50000000 1.0 Si Si14 1 0.00000000 0.63108928 0.00000000 1.0 Si Si15 1 0.36891072 0.36891072 0.00000000 1.0 Si Si16 1 0.63108928 1.00000000 0.00000000 1.0 Ir Ir17 1 1.00000000 0.28291589 0.50000000 1.0 Ir Ir18 1 0.71708411 0.71708411 0.50000000 1.0 Ir Ir19 1 0.28291589 0.00000000 0.50000000 1.0 Ir Ir20 1 0.62266551 0.80554077 0.00000000 1.0 Ir Ir21 1 0.19445923 0.81712473 0.00000000 1.0 Ir Ir22 1 0.18287527 0.37733449 0.00000000 1.0 Ir Ir23 1 0.37733449 0.18287527 0.00000000 1.0 Ir Ir24 1 0.80554077 0.62266551 0.00000000 1.0 Ir Ir25 1 0.81712473 0.19445923 0.00000000 1.0 Ir Ir26 1 0.51178097 0.87361520 0.50000000 1.0 Ir Ir27 1 0.12638480 0.63816478 0.50000000 1.0 Ir Ir28 1 0.36183522 0.48821903 0.50000000 1.0 Ir Ir29 1 0.48821903 0.36183522 0.50000000 1.0 Ir Ir30 1 0.87361520 0.51178097 0.50000000 1.0 Ir Ir31 1 0.63816478 0.12638480 0.50000000 1.0 Ir Ir32 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir33 1 1.00000000 0.44691702 0.00000000 1.0 Ir Ir34 1 0.55308298 0.55308298 0.00000000 1.0 Ir Ir35 1 0.44691702 0.00000000 0.00000000 1.0