# generated using pymatgen data_BaYMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42546100 _cell_length_b 7.33249300 _cell_length_c 11.59205600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaYMg6 _chemical_formula_sum 'Ba2 Y2 Mg12' _cell_volume 461.15696629 _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 0.84111500 1.0 Ba Ba1 1 0.50000000 0.00000000 0.34111500 1.0 Y Y2 1 0.50000000 0.50000000 0.34256200 1.0 Y Y3 1 0.50000000 0.00000000 0.84256200 1.0 Mg Mg4 1 0.50000000 0.24967700 0.08508400 1.0 Mg Mg5 1 0.50000000 0.75032300 0.08508400 1.0 Mg Mg6 1 0.00000000 0.23067700 0.92012600 1.0 Mg Mg7 1 0.00000000 0.76932300 0.92012600 1.0 Mg Mg8 1 0.00000000 0.50000000 0.15932300 1.0 Mg Mg9 1 0.00000000 0.50000000 0.64658400 1.0 Mg Mg10 1 0.50000000 0.74967700 0.58508400 1.0 Mg Mg11 1 0.50000000 0.25032300 0.58508400 1.0 Mg Mg12 1 0.00000000 0.73067700 0.42012600 1.0 Mg Mg13 1 0.00000000 0.26932300 0.42012600 1.0 Mg Mg14 1 0.00000000 0.00000000 0.65932300 1.0 Mg Mg15 1 0.00000000 0.00000000 0.14658400 1.0