# generated using pymatgen data_CaMg6Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16889700 _cell_length_b 6.71729800 _cell_length_c 11.44528400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg6Sn _chemical_formula_sum 'Ca2 Mg12 Sn2' _cell_volume 397.39195161 _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 Ca Ca0 1 0.00000000 0.00000000 0.82995800 1.0 Ca Ca1 1 0.00000000 0.50000000 0.32995800 1.0 Mg Mg2 1 0.00000000 0.74971900 0.58060100 1.0 Mg Mg3 1 0.00000000 0.25028100 0.58060100 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33640300 1.0 Mg Mg5 1 0.50000000 0.76063100 0.42025200 1.0 Mg Mg6 1 0.50000000 0.23936900 0.42025200 1.0 Mg Mg7 1 0.50000000 0.00000000 0.16705400 1.0 Mg Mg8 1 0.00000000 0.24971900 0.08060100 1.0 Mg Mg9 1 0.00000000 0.75028100 0.08060100 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83640300 1.0 Mg Mg11 1 0.50000000 0.26063100 0.92025200 1.0 Mg Mg12 1 0.50000000 0.73936900 0.92025200 1.0 Mg Mg13 1 0.50000000 0.50000000 0.66705400 1.0 Sn Sn14 1 0.50000000 0.00000000 0.66487800 1.0 Sn Sn15 1 0.50000000 0.50000000 0.16487800 1.0