# generated using pymatgen data_TmLu15(ScIr3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.51359381 _cell_length_b 10.51401621 _cell_length_c 6.14711388 _cell_angle_alpha 89.99790527 _cell_angle_beta 89.97744671 _cell_angle_gamma 90.01809322 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmLu15(ScIr3)4 _chemical_formula_sum 'Tm1 Lu15 Sc4 Ir12' _cell_volume 679.50247076 _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 0.08600224 0.28770422 0.12424587 1.0 Lu Lu1 1 0.28925254 0.08484666 0.37703106 1.0 Lu Lu2 1 0.28865915 0.91450738 0.87708651 1.0 Lu Lu3 1 0.71137837 0.08553380 0.87628246 1.0 Lu Lu4 1 0.71129925 0.91438786 0.37659615 1.0 Lu Lu5 1 0.58547504 0.78862778 0.87679200 1.0 Lu Lu6 1 0.58556694 0.21129470 0.37683529 1.0 Lu Lu7 1 0.41461138 0.78847828 0.37658645 1.0 Lu Lu8 1 0.41444384 0.21145589 0.87643354 1.0 Lu Lu9 1 0.21142286 0.41490712 0.62335291 1.0 Lu Lu10 1 0.21136769 0.58594775 0.12333341 1.0 Lu Lu11 1 0.78840862 0.41464617 0.12346587 1.0 Lu Lu12 1 0.78846759 0.58574730 0.62361597 1.0 Lu Lu13 1 0.91437734 0.71144645 0.12348466 1.0 Lu Lu14 1 0.91413277 0.28894007 0.62336884 1.0 Lu Lu15 1 0.08560835 0.71165343 0.62352962 1.0 Sc Sc16 1 0.99981089 0.00001422 0.49940181 1.0 Sc Sc17 1 0.99965308 0.99936457 0.99922982 1.0 Sc Sc18 1 0.49990799 0.50017007 0.99986345 1.0 Sc Sc19 1 0.50018978 0.50008651 0.49999069 1.0 Ir Ir20 1 0.84831181 0.15034225 0.25049568 1.0 Ir Ir21 1 0.84909699 0.84906017 0.74997644 1.0 Ir Ir22 1 0.15094023 0.15050583 0.74808714 1.0 Ir Ir23 1 0.15080491 0.84919136 0.24992356 1.0 Ir Ir24 1 0.65075537 0.34931969 0.75007397 1.0 Ir Ir25 1 0.65084618 0.65068266 0.24987838 1.0 Ir Ir26 1 0.35011513 0.34930980 0.25070246 1.0 Ir Ir27 1 0.34931085 0.65081110 0.75001569 1.0 Ir Ir28 1 0.50015925 0.99995757 0.12432959 1.0 Ir Ir29 1 0.50008730 0.99983636 0.62471046 1.0 Ir Ir30 1 0.99980082 0.50059024 0.87530526 1.0 Ir Ir31 1 0.99973445 0.50063471 0.37597101 1.0