# generated using pymatgen data_Zr2(TiSn)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70633500 _cell_length_b 8.33836528 _cell_length_c 8.33836558 _cell_angle_alpha 59.97055376 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2(TiSn)3 _chemical_formula_sum 'Zr4 Ti6 Sn6' _cell_volume 343.49530386 _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 0.49999900 0.33332000 0.33332600 1.0 Zr Zr1 1 0.49999900 0.66667400 0.66668000 1.0 Zr Zr2 1 0.99999900 0.66668000 0.66667400 1.0 Zr Zr3 1 0.99999900 0.33332600 0.33332000 1.0 Ti Ti4 1 0.74999400 0.25960700 0.74039300 1.0 Ti Ti5 1 0.75000400 0.74049700 0.99988800 1.0 Ti Ti6 1 0.75000400 0.00011200 0.25950300 1.0 Ti Ti7 1 0.24999400 0.74039300 0.25960700 1.0 Ti Ti8 1 0.25000400 0.25950300 0.00011200 1.0 Ti Ti9 1 0.25000400 0.99988800 0.74049700 1.0 Sn Sn10 1 0.74999700 0.62366000 0.37634000 1.0 Sn Sn11 1 0.75000200 0.37646600 0.99997100 1.0 Sn Sn12 1 0.75000200 0.00002900 0.62353400 1.0 Sn Sn13 1 0.24999700 0.37634000 0.62366000 1.0 Sn Sn14 1 0.25000200 0.62353400 0.00002900 1.0 Sn Sn15 1 0.25000200 0.99997100 0.37646600 1.0