# generated using pymatgen data_CaMg6Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20736500 _cell_length_b 6.40647900 _cell_length_c 11.84157600 _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 395.04533103 _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 0.50000000 0.00000000 0.16945300 1.0 Ca Ca1 1 0.50000000 0.50000000 0.66945300 1.0 Mg Mg2 1 0.50000000 0.24905000 0.41739200 1.0 Mg Mg3 1 0.50000000 0.75095000 0.41739200 1.0 Mg Mg4 1 0.00000000 0.74739800 0.07885100 1.0 Mg Mg5 1 0.00000000 0.25260200 0.07885100 1.0 Mg Mg6 1 0.00000000 0.00000000 0.33738700 1.0 Mg Mg7 1 0.00000000 0.50000000 0.33538200 1.0 Mg Mg8 1 0.50000000 0.74905000 0.91739200 1.0 Mg Mg9 1 0.50000000 0.25095000 0.91739200 1.0 Mg Mg10 1 0.00000000 0.24739800 0.57885100 1.0 Mg Mg11 1 0.00000000 0.75260200 0.57885100 1.0 Mg Mg12 1 0.00000000 0.50000000 0.83738700 1.0 Mg Mg13 1 0.00000000 0.00000000 0.83538200 1.0 Sn Sn14 1 0.50000000 0.50000000 0.16528900 1.0 Sn Sn15 1 0.50000000 0.00000000 0.66528900 1.0