# generated using pymatgen data_Tm7Lu(Sc3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03282807 _cell_length_b 7.34272235 _cell_length_c 13.87419393 _cell_angle_alpha 89.99207296 _cell_angle_beta 90.00027352 _cell_angle_gamma 89.97924117 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm7Lu(Sc3Si4)4 _chemical_formula_sum 'Tm7 Lu1 Sc12 Si16' _cell_volume 716.46476138 _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 0.98884891 0.82300465 0.90347339 1.0 Tm Tm1 1 0.48847372 0.67710981 0.90339187 1.0 Tm Tm2 1 0.98877093 0.82285143 0.59681908 1.0 Tm Tm3 1 0.51123862 0.32274152 0.09678324 1.0 Tm Tm4 1 0.01124663 0.17707003 0.40331344 1.0 Tm Tm5 1 0.51129388 0.32281360 0.40289447 1.0 Tm Tm6 1 0.48881724 0.67705072 0.59683973 1.0 Lu Lu7 1 0.01128902 0.17754220 0.09706269 1.0 Sc Sc8 1 0.16305890 0.50386203 0.75009691 1.0 Sc Sc9 1 0.83703532 0.49603998 0.24982761 1.0 Sc Sc10 1 0.33692313 0.00413338 0.24977280 1.0 Sc Sc11 1 0.66309277 0.99606006 0.75004968 1.0 Sc Sc12 1 0.33067412 0.17712604 0.62549852 1.0 Sc Sc13 1 0.66952135 0.82303817 0.37423686 1.0 Sc Sc14 1 0.16924014 0.67720120 0.37424295 1.0 Sc Sc15 1 0.66943879 0.82314865 0.12539586 1.0 Sc Sc16 1 0.83071007 0.32291007 0.62555930 1.0 Sc Sc17 1 0.33045839 0.17700194 0.87460556 1.0 Sc Sc18 1 0.83089657 0.32247932 0.87463787 1.0 Sc Sc19 1 0.16923688 0.67737478 0.12555591 1.0 Si Si20 1 0.03376743 0.11114415 0.75005781 1.0 Si Si21 1 0.96645192 0.88940945 0.24978343 1.0 Si Si22 1 0.46634163 0.61128602 0.24984997 1.0 Si Si23 1 0.53372319 0.38866451 0.75010334 1.0 Si Si24 1 0.28546864 0.87030077 0.75009731 1.0 Si Si25 1 0.71506141 0.12988727 0.24954185 1.0 Si Si26 1 0.21411109 0.37002621 0.24967934 1.0 Si Si27 1 0.78546727 0.62953507 0.75015408 1.0 Si Si28 1 0.16004954 0.46586368 0.53841425 1.0 Si Si29 1 0.83985421 0.53422972 0.46148056 1.0 Si Si30 1 0.34012336 0.96571262 0.46144411 1.0 Si Si31 1 0.84033449 0.53340516 0.03876439 1.0 Si Si32 1 0.66011681 0.03426210 0.53842109 1.0 Si Si33 1 0.15991465 0.46511981 0.96186960 1.0 Si Si34 1 0.66019662 0.03424082 0.96157339 1.0 Si Si35 1 0.33875536 0.96635506 0.03870774 1.0