# generated using pymatgen data_TmLuSc3Sn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67681049 _cell_length_b 7.79206621 _cell_length_c 14.79942176 _cell_angle_alpha 89.99893326 _cell_angle_beta 90.17995235 _cell_angle_gamma 89.94610495 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmLuSc3Sn4 _chemical_formula_sum 'Tm4 Lu4 Sc12 Sn16' _cell_volume 885.27024257 _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 0.48086705 0.32052627 0.09511738 1.0 Tm Tm1 1 0.98195982 0.17854312 0.40508697 1.0 Tm Tm2 1 0.48174525 0.32068951 0.40474501 1.0 Tm Tm3 1 0.51797152 0.67905447 0.59527260 1.0 Lu Lu4 1 0.98004311 0.17959574 0.09522709 1.0 Lu Lu5 1 0.01975296 0.82058900 0.90467782 1.0 Lu Lu6 1 0.51994592 0.68002670 0.90437757 1.0 Lu Lu7 1 0.01892949 0.82085147 0.59547607 1.0 Sc Sc8 1 0.18794966 0.49414531 0.75044234 1.0 Sc Sc9 1 0.81184578 0.50599421 0.24949225 1.0 Sc Sc10 1 0.31172614 0.99392083 0.24953811 1.0 Sc Sc11 1 0.68808352 0.00596498 0.75050733 1.0 Sc Sc12 1 0.35791590 0.16094536 0.62528211 1.0 Sc Sc13 1 0.64219877 0.83874467 0.37503755 1.0 Sc Sc14 1 0.14185007 0.66145235 0.37481785 1.0 Sc Sc15 1 0.64041356 0.83949201 0.12430887 1.0 Sc Sc16 1 0.85743078 0.33886206 0.62545846 1.0 Sc Sc17 1 0.35892492 0.16018476 0.87540260 1.0 Sc Sc18 1 0.85923481 0.33964867 0.87523777 1.0 Sc Sc19 1 0.14079029 0.66069292 0.12444321 1.0 Sn Sn20 1 0.05310684 0.12409523 0.75034569 1.0 Sn Sn21 1 0.94665739 0.87546146 0.24952333 1.0 Sn Sn22 1 0.44693693 0.62483235 0.24968418 1.0 Sn Sn23 1 0.55283012 0.37564761 0.75045818 1.0 Sn Sn24 1 0.32721425 0.84850069 0.75032548 1.0 Sn Sn25 1 0.67305158 0.15076728 0.24998606 1.0 Sn Sn26 1 0.17213750 0.34853163 0.24969690 1.0 Sn Sn27 1 0.82812068 0.65214833 0.75003698 1.0 Sn Sn28 1 0.19702729 0.45835312 0.54194225 1.0 Sn Sn29 1 0.80256848 0.54172682 0.45830405 1.0 Sn Sn30 1 0.30185501 0.95728483 0.45870223 1.0 Sn Sn31 1 0.80030460 0.54202211 0.04143197 1.0 Sn Sn32 1 0.69875520 0.04123878 0.54216261 1.0 Sn Sn33 1 0.20028154 0.45951162 0.95767695 1.0 Sn Sn34 1 0.70090697 0.04143659 0.95811021 1.0 Sn Sn35 1 0.29866530 0.95851913 0.04166599 1.0