# generated using pymatgen data_RbBaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49579400 _cell_length_b 7.40593100 _cell_length_c 12.64290600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbBaMg6 _chemical_formula_sum 'Rb2 Ba2 Mg12' _cell_volume 514.58487386 _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 Rb Rb0 1 0.00000000 0.50000000 0.34285200 1.0 Rb Rb1 1 0.00000000 0.00000000 0.84285200 1.0 Ba Ba2 1 0.50000000 0.50000000 0.16140900 1.0 Ba Ba3 1 0.50000000 0.00000000 0.66140900 1.0 Mg Mg4 1 0.00000000 0.77508700 0.08292400 1.0 Mg Mg5 1 0.00000000 0.22491300 0.08292400 1.0 Mg Mg6 1 0.00000000 0.50000000 0.83119300 1.0 Mg Mg7 1 0.50000000 0.71660300 0.91715300 1.0 Mg Mg8 1 0.50000000 0.28339700 0.91715300 1.0 Mg Mg9 1 0.50000000 0.50000000 0.66439200 1.0 Mg Mg10 1 0.00000000 0.27508700 0.58292400 1.0 Mg Mg11 1 0.00000000 0.72491300 0.58292400 1.0 Mg Mg12 1 0.00000000 0.00000000 0.33119300 1.0 Mg Mg13 1 0.50000000 0.21660300 0.41715300 1.0 Mg Mg14 1 0.50000000 0.78339700 0.41715300 1.0 Mg Mg15 1 0.50000000 0.00000000 0.16439200 1.0