# generated using pymatgen data_Tb5Th3(Nb3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93904335 _cell_length_b 7.17021558 _cell_length_c 13.50151425 _cell_angle_alpha 90.07343483 _cell_angle_beta 89.93340684 _cell_angle_gamma 90.03787221 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Th3(Nb3Si4)4 _chemical_formula_sum 'Tb5 Th3 Nb12 Si16' _cell_volume 671.75908544 _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 0.99645435 0.17106809 0.40372967 1.0 Tb Tb1 1 0.49565735 0.32872280 0.40235892 1.0 Tb Tb2 1 0.99617041 0.17125557 0.09842149 1.0 Tb Tb3 1 0.50314301 0.67091681 0.90206777 1.0 Tb Tb4 1 0.00378043 0.82855826 0.59614063 1.0 Th Th5 1 0.50591770 0.66995122 0.59375684 1.0 Th Th6 1 0.00463385 0.82975024 0.90451641 1.0 Th Th7 1 0.49496938 0.32936575 0.09717240 1.0 Nb Nb8 1 0.66095094 0.17697932 0.62490827 1.0 Nb Nb9 1 0.16084480 0.32321925 0.87453247 1.0 Nb Nb10 1 0.33750580 0.82474726 0.12606525 1.0 Nb Nb11 1 0.83889770 0.67769500 0.37524237 1.0 Nb Nb12 1 0.33593457 0.82563842 0.37502280 1.0 Nb Nb13 1 0.83581116 0.67418594 0.12652334 1.0 Nb Nb14 1 0.66490889 0.17346575 0.87418009 1.0 Nb Nb15 1 0.16535634 0.32562404 0.62506879 1.0 Nb Nb16 1 0.83731410 0.49052077 0.75039598 1.0 Nb Nb17 1 0.33701263 0.00881134 0.74827294 1.0 Nb Nb18 1 0.16268742 0.51106373 0.25061982 1.0 Nb Nb19 1 0.66214037 0.99209471 0.25009526 1.0 Si Si20 1 0.66179808 0.96720831 0.45659354 1.0 Si Si21 1 0.15615657 0.53734712 0.04294538 1.0 Si Si22 1 0.34387286 0.03743618 0.95777637 1.0 Si Si23 1 0.84528590 0.45897024 0.54012604 1.0 Si Si24 1 0.33555784 0.04247285 0.53991777 1.0 Si Si25 1 0.83663474 0.45773835 0.95848163 1.0 Si Si26 1 0.66239731 0.95731198 0.04256080 1.0 Si Si27 1 0.16012598 0.53671064 0.45688638 1.0 Si Si28 1 0.45877495 0.37209988 0.75165335 1.0 Si Si29 1 0.95880498 0.12779618 0.74722799 1.0 Si Si30 1 0.54197477 0.62809481 0.25270823 1.0 Si Si31 1 0.04043276 0.87492071 0.25041957 1.0 Si Si32 1 0.70286894 0.88298493 0.74880081 1.0 Si Si33 1 0.20288986 0.61645555 0.74944031 1.0 Si Si34 1 0.29302179 0.11806894 0.25236871 1.0 Si Si35 1 0.79931246 0.38075106 0.25300060 1.0