# generated using pymatgen data_Ta4(Nb3Sn)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31072562 _cell_length_b 5.32458468 _cell_length_c 10.60881871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4(Nb3Sn)3 _chemical_formula_sum 'Ta4 Nb9 Sn3' _cell_volume 299.98989813 _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 Ta Ta0 1 0.00000000 0.50000000 0.37935912 1.0 Ta Ta1 1 0.50000000 0.24423700 0.49951390 1.0 Ta Ta2 1 0.50000000 0.75576300 0.49951390 1.0 Ta Ta3 1 0.00000000 0.00000000 0.49984244 1.0 Nb Nb4 1 0.00000000 0.50000000 0.87416415 1.0 Nb Nb5 1 0.50000000 0.24962441 0.00001750 1.0 Nb Nb6 1 0.75453650 0.00000000 0.25670194 1.0 Nb Nb7 1 0.75421308 0.00000000 0.74378521 1.0 Nb Nb8 1 0.00000000 0.50000000 0.12501314 1.0 Nb Nb9 1 0.00000000 0.50000000 0.62186189 1.0 Nb Nb10 1 0.50000000 0.75037559 0.00001750 1.0 Nb Nb11 1 0.24546350 0.00000000 0.25670194 1.0 Nb Nb12 1 0.24578692 0.00000000 0.74378521 1.0 Sn Sn13 1 0.50000000 0.50000000 0.24959604 1.0 Sn Sn14 1 0.50000000 0.50000000 0.74999951 1.0 Sn Sn15 1 0.00000000 0.00000000 0.00012563 1.0