# generated using pymatgen data_ZrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13668900 _cell_length_b 5.11458200 _cell_length_c 12.42605600 _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 'Zr4 Sn4' _cell_volume 199.34939101 _cell_formula_units_Z 4 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 0.00000000 0.53717700 1.0 Zr Zr1 1 0.50000000 0.00000000 0.29368500 1.0 Zr Zr2 1 0.00000000 0.50000000 0.70631500 1.0 Zr Zr3 1 0.50000000 0.50000000 0.46282300 1.0 Sn Sn4 1 0.00000000 0.00000000 0.06668400 1.0 Sn Sn5 1 0.50000000 0.00000000 0.75906400 1.0 Sn Sn6 1 0.00000000 0.50000000 0.24093600 1.0 Sn Sn7 1 0.50000000 0.50000000 0.93331600 1.0