# generated using pymatgen data_ZrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32493200 _cell_length_b 5.59632300 _cell_length_c 12.69812900 _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 'Zr8 Sn8' _cell_volume 378.40474482 _cell_formula_units_Z 8 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 0.66713000 0.11817500 1.0 Zr Zr1 1 0.00000000 0.15739500 0.24711400 1.0 Zr Zr2 1 0.00000000 0.15739500 0.75288600 1.0 Zr Zr3 1 0.00000000 0.66713000 0.88182500 1.0 Zr Zr4 1 0.50000000 0.84260500 0.25288600 1.0 Zr Zr5 1 0.50000000 0.33287000 0.38182500 1.0 Zr Zr6 1 0.50000000 0.33287000 0.61817500 1.0 Zr Zr7 1 0.50000000 0.84260500 0.74711400 1.0 Sn Sn8 1 0.00000000 0.17252300 0.00000000 1.0 Sn Sn9 1 0.00000000 0.66857300 0.35265200 1.0 Sn Sn10 1 0.00000000 0.21287500 0.50000000 1.0 Sn Sn11 1 0.00000000 0.66857300 0.64734800 1.0 Sn Sn12 1 0.50000000 0.78712500 0.00000000 1.0 Sn Sn13 1 0.50000000 0.33142700 0.14734800 1.0 Sn Sn14 1 0.50000000 0.82747700 0.50000000 1.0 Sn Sn15 1 0.50000000 0.33142700 0.85265200 1.0