# generated using pymatgen data_BaMg6Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20673100 _cell_length_b 7.06751400 _cell_length_c 12.02173600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Sn _chemical_formula_sum 'Ba2 Mg12 Sn2' _cell_volume 442.38358617 _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 Ba Ba0 1 0.50000000 0.50000000 0.17009700 1.0 Ba Ba1 1 0.50000000 0.00000000 0.67009700 1.0 Mg Mg2 1 0.00000000 0.21963400 0.07381300 1.0 Mg Mg3 1 0.00000000 0.78036600 0.07381300 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83202700 1.0 Mg Mg5 1 0.50000000 0.24315600 0.92070400 1.0 Mg Mg6 1 0.50000000 0.75684400 0.92070400 1.0 Mg Mg7 1 0.50000000 0.50000000 0.66025400 1.0 Mg Mg8 1 0.00000000 0.71963400 0.57381300 1.0 Mg Mg9 1 0.00000000 0.28036600 0.57381300 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33202700 1.0 Mg Mg11 1 0.50000000 0.74315600 0.42070400 1.0 Mg Mg12 1 0.50000000 0.25684400 0.42070400 1.0 Mg Mg13 1 0.50000000 0.00000000 0.16025400 1.0 Sn Sn14 1 0.00000000 0.50000000 0.34858900 1.0 Sn Sn15 1 0.00000000 0.00000000 0.84858900 1.0