# generated using pymatgen data_Zr3Ta3Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61978780 _cell_length_b 9.61978791 _cell_length_c 5.76484012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999962 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ta3Sn5 _chemical_formula_sum 'Zr6 Ta6 Sn10' _cell_volume 462.00735524 _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 Zr Zr0 1 0.84622878 0.69245755 0.75000000 1.0 Zr Zr1 1 0.15377122 0.84622878 0.25000000 1.0 Zr Zr2 1 0.69245755 0.84622878 0.25000000 1.0 Zr Zr3 1 0.30754245 0.15377122 0.75000000 1.0 Zr Zr4 1 0.84622878 0.15377122 0.75000000 1.0 Zr Zr5 1 0.15377122 0.30754245 0.25000000 1.0 Ta Ta6 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta7 1 0.50000000 0.50000000 0.00000000 1.0 Ta Ta8 1 0.00000000 0.50000000 0.00000000 1.0 Ta Ta9 1 0.00000000 0.50000000 0.50000000 1.0 Ta Ta10 1 0.50000000 0.00000000 0.00000000 1.0 Ta Ta11 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn12 1 0.20982797 0.41965594 0.75000000 1.0 Sn Sn13 1 0.79017203 0.20982797 0.25000000 1.0 Sn Sn14 1 0.41965594 0.20982797 0.25000000 1.0 Sn Sn15 1 0.58034406 0.79017203 0.75000000 1.0 Sn Sn16 1 0.20982797 0.79017203 0.75000000 1.0 Sn Sn17 1 0.79017203 0.58034406 0.25000000 1.0 Sn Sn18 1 0.66666700 0.33333300 0.75000000 1.0 Sn Sn19 1 0.33333300 0.66666700 0.25000000 1.0 Sn Sn20 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn21 1 0.00000000 0.00000000 0.00000000 1.0