# generated using pymatgen data_Th2Zr2NbSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37118096 _cell_length_b 7.37118096 _cell_length_c 13.61197053 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Zr2NbSi4 _chemical_formula_sum 'Th8 Zr8 Nb4 Si16' _cell_volume 739.59700895 _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 Th Th0 1 0.99953060 0.34426417 0.21520454 1.0 Th Th1 1 0.00046940 0.65573583 0.71520454 1.0 Th Th2 1 0.15573583 0.49953060 0.46520454 1.0 Th Th3 1 0.50046940 0.84426417 0.03479546 1.0 Th Th4 1 0.84426417 0.50046940 0.96520454 1.0 Th Th5 1 0.49953060 0.15573583 0.53479546 1.0 Th Th6 1 0.34426417 0.99953060 0.78479546 1.0 Th Th7 1 0.65573583 0.00046940 0.28479546 1.0 Zr Zr8 1 0.15126612 0.99388690 0.37460281 1.0 Zr Zr9 1 0.84873388 0.00611310 0.87460281 1.0 Zr Zr10 1 0.50611310 0.65126612 0.62460281 1.0 Zr Zr11 1 0.34873388 0.49388690 0.87539719 1.0 Zr Zr12 1 0.49388690 0.34873388 0.12460281 1.0 Zr Zr13 1 0.65126612 0.50611310 0.37539719 1.0 Zr Zr14 1 0.99388690 0.15126612 0.62539719 1.0 Zr Zr15 1 0.00611310 0.84873388 0.12539719 1.0 Nb Nb16 1 0.17320737 0.17320737 0.00000000 1.0 Nb Nb17 1 0.82679263 0.82679263 0.50000000 1.0 Nb Nb18 1 0.32679263 0.67320737 0.25000000 1.0 Nb Nb19 1 0.67320737 0.32679263 0.75000000 1.0 Si Si20 1 0.29106005 0.04900695 0.18513227 1.0 Si Si21 1 0.70893995 0.95099305 0.68513227 1.0 Si Si22 1 0.45099305 0.79106005 0.43513227 1.0 Si Si23 1 0.20893995 0.54900695 0.06486773 1.0 Si Si24 1 0.54900695 0.20893995 0.93513227 1.0 Si Si25 1 0.79106005 0.45099305 0.56486773 1.0 Si Si26 1 0.04900695 0.29106005 0.81486773 1.0 Si Si27 1 0.95099305 0.70893995 0.31486773 1.0 Si Si28 1 0.36501269 0.29806683 0.31460625 1.0 Si Si29 1 0.63498731 0.70193317 0.81460625 1.0 Si Si30 1 0.20193317 0.86501269 0.56460625 1.0 Si Si31 1 0.13498731 0.79806683 0.93539375 1.0 Si Si32 1 0.79806683 0.13498731 0.06460625 1.0 Si Si33 1 0.86501269 0.20193317 0.43539375 1.0 Si Si34 1 0.29806683 0.36501269 0.68539375 1.0 Si Si35 1 0.70193317 0.63498731 0.18539375 1.0