# generated using pymatgen data_BaMg6Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07319500 _cell_length_b 7.02004900 _cell_length_c 12.10781400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaMg6Zn _chemical_formula_sum 'Ba2 Mg12 Zn2' _cell_volume 431.20862599 _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 0.17307100 1.0 Ba Ba1 1 0.50000000 0.00000000 0.67307100 1.0 Mg Mg2 1 0.00000000 0.21849400 0.06712100 1.0 Mg Mg3 1 0.00000000 0.78150600 0.06712100 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83301400 1.0 Mg Mg5 1 0.50000000 0.23773500 0.92029900 1.0 Mg Mg6 1 0.50000000 0.76226500 0.92029900 1.0 Mg Mg7 1 0.50000000 0.50000000 0.66174700 1.0 Mg Mg8 1 0.00000000 0.71849400 0.56712100 1.0 Mg Mg9 1 0.00000000 0.28150600 0.56712100 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33301400 1.0 Mg Mg11 1 0.50000000 0.73773500 0.42029900 1.0 Mg Mg12 1 0.50000000 0.26226500 0.42029900 1.0 Mg Mg13 1 0.50000000 0.00000000 0.16174700 1.0 Zn Zn14 1 0.00000000 0.50000000 0.35732800 1.0 Zn Zn15 1 0.00000000 0.00000000 0.85732800 1.0