# generated using pymatgen data_BaCeMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40206900 _cell_length_b 7.05189000 _cell_length_c 11.99441000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCeMg6 _chemical_formula_sum 'Ba2 Ce2 Mg12' _cell_volume 456.92460641 _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 0.83447800 1.0 Ba Ba1 1 0.50000000 0.00000000 0.33447800 1.0 Ce Ce2 1 0.50000000 0.50000000 0.33908600 1.0 Ce Ce3 1 0.50000000 0.00000000 0.83908600 1.0 Mg Mg4 1 0.50000000 0.25313900 0.08244700 1.0 Mg Mg5 1 0.50000000 0.74686100 0.08244700 1.0 Mg Mg6 1 0.00000000 0.23445000 0.92697900 1.0 Mg Mg7 1 0.00000000 0.76555000 0.92697900 1.0 Mg Mg8 1 0.00000000 0.50000000 0.16049700 1.0 Mg Mg9 1 0.00000000 0.50000000 0.64709100 1.0 Mg Mg10 1 0.50000000 0.75313900 0.58244700 1.0 Mg Mg11 1 0.50000000 0.24686100 0.58244700 1.0 Mg Mg12 1 0.00000000 0.73445000 0.42697900 1.0 Mg Mg13 1 0.00000000 0.26555000 0.42697900 1.0 Mg Mg14 1 0.00000000 0.00000000 0.66049700 1.0 Mg Mg15 1 0.00000000 0.00000000 0.14709100 1.0