# generated using pymatgen data_Tb5Pr2Sn23Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.86827971 _cell_length_b 9.86827984 _cell_length_c 10.06678156 _cell_angle_alpha 89.94559365 _cell_angle_beta 90.05440385 _cell_angle_gamma 119.93876264 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Pr2Sn23Ir6 _chemical_formula_sum 'Tb5 Pr2 Sn23 Ir6' _cell_volume 849.51603672 _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 0.51920834 0.48079166 0.69242323 1.0 Tb Tb1 1 0.48134156 0.96126057 0.30756226 1.0 Tb Tb2 1 0.51946188 0.03965956 0.69308259 1.0 Tb Tb3 1 0.03873943 0.51865844 0.30756226 1.0 Tb Tb4 1 0.96034044 0.48053812 0.69308259 1.0 Pr Pr5 1 0.00087203 0.99912797 0.99914960 1.0 Pr Pr6 1 0.47771167 0.52228833 0.30849783 1.0 Sn Sn7 1 0.35339062 0.99848680 0.99963712 1.0 Sn Sn8 1 0.64708286 0.00045550 0.99982937 1.0 Sn Sn9 1 0.99954450 0.35291714 0.99982937 1.0 Sn Sn10 1 0.00151320 0.64660938 0.99963712 1.0 Sn Sn11 1 0.64739085 0.64635428 0.99950258 1.0 Sn Sn12 1 0.35364572 0.35260915 0.99950258 1.0 Sn Sn13 1 0.33345789 0.66654211 0.82646097 1.0 Sn Sn14 1 0.66671273 0.33328727 0.17148676 1.0 Sn Sn15 1 0.00070631 0.99929369 0.50095142 1.0 Sn Sn16 1 0.77876626 0.22123374 0.45723107 1.0 Sn Sn17 1 0.22171496 0.77828504 0.54341781 1.0 Sn Sn18 1 0.78124269 0.55727763 0.45712547 1.0 Sn Sn19 1 0.21818171 0.44170370 0.54559734 1.0 Sn Sn20 1 0.44272237 0.21875731 0.45712547 1.0 Sn Sn21 1 0.55829630 0.78181829 0.54559734 1.0 Sn Sn22 1 0.32904004 0.67095996 0.11582536 1.0 Sn Sn23 1 0.66606697 0.33393303 0.88107471 1.0 Sn Sn24 1 0.11865233 0.88134767 0.28614816 1.0 Sn Sn25 1 0.88210137 0.11789863 0.71430972 1.0 Sn Sn26 1 0.11499071 0.23202910 0.28547418 1.0 Sn Sn27 1 0.88167956 0.76360192 0.71435013 1.0 Sn Sn28 1 0.76797090 0.88500929 0.28547418 1.0 Sn Sn29 1 0.23639808 0.11832044 0.71435013 1.0 Ir Ir30 1 0.82990378 0.17009622 0.19957975 1.0 Ir Ir31 1 0.16918956 0.83081044 0.79943190 1.0 Ir Ir32 1 0.83375169 0.66248807 0.19888655 1.0 Ir Ir33 1 0.16894663 0.33824787 0.80095677 1.0 Ir Ir34 1 0.33751193 0.16624831 0.19888655 1.0 Ir Ir35 1 0.66175213 0.83105337 0.80095677 1.0