# generated using pymatgen data_TbY3(Sc3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09396874 _cell_length_b 7.40946269 _cell_length_c 13.99363875 _cell_angle_alpha 90.01853727 _cell_angle_beta 89.98352600 _cell_angle_gamma 89.99186924 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbY3(Sc3Si4)2 _chemical_formula_sum 'Tb2 Y6 Sc12 Si16' _cell_volume 735.54051492 _cell_formula_units_Z 2 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 0.51169301 0.32441298 0.40285605 1.0 Tb Tb1 1 0.48830699 0.67558702 0.59714395 1.0 Y Y2 1 0.01149347 0.17583896 0.09693877 1.0 Y Y3 1 0.98850653 0.82416104 0.90306123 1.0 Y Y4 1 0.48852916 0.67583145 0.90285279 1.0 Y Y5 1 0.98865873 0.82413733 0.59708358 1.0 Y Y6 1 0.51147084 0.32416855 0.09714721 1.0 Y Y7 1 0.01134127 0.17586267 0.40291642 1.0 Sc Sc8 1 0.16262633 0.50241578 0.74996755 1.0 Sc Sc9 1 0.83737367 0.49758422 0.25003245 1.0 Sc Sc10 1 0.33753534 0.00272409 0.25001024 1.0 Sc Sc11 1 0.66246466 0.99727591 0.74998976 1.0 Sc Sc12 1 0.32985105 0.17666516 0.62546043 1.0 Sc Sc13 1 0.67014895 0.82333484 0.37453957 1.0 Sc Sc14 1 0.16995045 0.67694576 0.37438276 1.0 Sc Sc15 1 0.67016419 0.82320870 0.12543277 1.0 Sc Sc16 1 0.83004955 0.32305424 0.62561724 1.0 Sc Sc17 1 0.32983581 0.17679130 0.87456723 1.0 Sc Sc18 1 0.82999647 0.32310715 0.87455239 1.0 Sc Sc19 1 0.17000353 0.67689285 0.12544761 1.0 Si Si20 1 0.03381160 0.11535194 0.75006379 1.0 Si Si21 1 0.96618840 0.88464806 0.24993621 1.0 Si Si22 1 0.46618202 0.61592185 0.24995199 1.0 Si Si23 1 0.53381798 0.38407815 0.75004801 1.0 Si Si24 1 0.28529616 0.87376361 0.75000657 1.0 Si Si25 1 0.71470384 0.12623639 0.24999343 1.0 Si Si26 1 0.21449558 0.37398864 0.24981445 1.0 Si Si27 1 0.78550442 0.62601136 0.75018555 1.0 Si Si28 1 0.15724143 0.46481424 0.53880960 1.0 Si Si29 1 0.84275857 0.53518576 0.46119040 1.0 Si Si30 1 0.34242907 0.96488258 0.46111987 1.0 Si Si31 1 0.84246424 0.53511719 0.03892612 1.0 Si Si32 1 0.65757093 0.03511742 0.53888013 1.0 Si Si33 1 0.15753576 0.46488281 0.96107388 1.0 Si Si34 1 0.65740603 0.03520189 0.96108269 1.0 Si Si35 1 0.34259397 0.96479811 0.03891731 1.0