# generated using pymatgen data_Mg6ZrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12216900 _cell_length_b 6.16779100 _cell_length_c 11.42322100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrSn _chemical_formula_sum 'Mg12 Zr2 Sn2' _cell_volume 360.88774229 _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 Mg Mg0 1 0.50000000 0.24858900 0.41844200 1.0 Mg Mg1 1 0.50000000 0.75141100 0.41844200 1.0 Mg Mg2 1 0.00000000 0.75764200 0.07943000 1.0 Mg Mg3 1 0.00000000 0.24235800 0.07943000 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33073400 1.0 Mg Mg5 1 0.00000000 0.50000000 0.33505400 1.0 Mg Mg6 1 0.50000000 0.74858900 0.91844200 1.0 Mg Mg7 1 0.50000000 0.25141100 0.91844200 1.0 Mg Mg8 1 0.00000000 0.25764200 0.57943000 1.0 Mg Mg9 1 0.00000000 0.74235800 0.57943000 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83073400 1.0 Mg Mg11 1 0.00000000 0.00000000 0.83505400 1.0 Zr Zr12 1 0.50000000 0.00000000 0.17141500 1.0 Zr Zr13 1 0.50000000 0.50000000 0.67141500 1.0 Sn Sn14 1 0.50000000 0.50000000 0.16704900 1.0 Sn Sn15 1 0.50000000 0.00000000 0.66704900 1.0