# generated using pymatgen data_ZrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67481900 _cell_length_b 7.80168700 _cell_length_c 8.20785315 _cell_angle_alpha 73.04786455 _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 286.34524272 _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 0.75000000 0.35594300 0.53595500 1.0 Zr Zr1 1 0.25000000 0.64405700 0.46404500 1.0 Zr Zr2 1 0.25000000 0.00017800 0.12780400 1.0 Zr Zr3 1 0.25000000 0.96424600 0.63496700 1.0 Zr Zr4 1 0.75000000 0.03575400 0.36503300 1.0 Zr Zr5 1 0.75000000 0.99982200 0.87219600 1.0 Sn Sn6 1 0.75000000 0.33652700 0.02655800 1.0 Sn Sn7 1 0.25000000 0.66347300 0.97344200 1.0 Sn Sn8 1 0.75000000 0.72074000 0.22367900 1.0 Sn Sn9 1 0.75000000 0.70440100 0.67526300 1.0 Sn Sn10 1 0.25000000 0.29559900 0.32473700 1.0 Sn Sn11 1 0.25000000 0.27926000 0.77632100 1.0