# generated using pymatgen data_ZrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31982600 _cell_length_b 5.48177500 _cell_length_c 9.60162400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSn _chemical_formula_sum 'Zr6 Sn6' _cell_volume 280.00341528 _cell_formula_units_Z 6 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 0.00000000 0.94750200 0.92014800 1.0 Zr Zr1 1 0.00000000 0.00899400 0.58891000 1.0 Zr Zr2 1 0.50000000 0.37421200 0.90499700 1.0 Zr Zr3 1 0.00000000 0.50899400 0.41109000 1.0 Zr Zr4 1 0.00000000 0.44750200 0.07985200 1.0 Zr Zr5 1 0.50000000 0.87421200 0.09500300 1.0 Sn Sn6 1 0.00000000 0.98292500 0.24766100 1.0 Sn Sn7 1 0.50000000 0.31805600 0.56201200 1.0 Sn Sn8 1 0.50000000 0.36837100 0.22403800 1.0 Sn Sn9 1 0.00000000 0.48292500 0.75233900 1.0 Sn Sn10 1 0.50000000 0.86837100 0.77596200 1.0 Sn Sn11 1 0.50000000 0.81805600 0.43798800 1.0