# generated using pymatgen data_CsBaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16432000 _cell_length_b 7.20097200 _cell_length_c 14.85226000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsBaMg6 _chemical_formula_sum 'Cs2 Ba2 Mg12' _cell_volume 552.32768239 _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 Cs Cs0 1 0.50000000 0.00000000 0.18203200 1.0 Cs Cs1 1 0.50000000 0.50000000 0.68203200 1.0 Ba Ba2 1 0.50000000 0.50000000 0.17135700 1.0 Ba Ba3 1 0.50000000 0.00000000 0.67135700 1.0 Mg Mg4 1 0.50000000 0.25944200 0.42195500 1.0 Mg Mg5 1 0.50000000 0.74055800 0.42195500 1.0 Mg Mg6 1 0.00000000 0.73888700 0.03607000 1.0 Mg Mg7 1 0.00000000 0.26111300 0.03607000 1.0 Mg Mg8 1 0.00000000 0.00000000 0.36820900 1.0 Mg Mg9 1 0.00000000 0.50000000 0.36234800 1.0 Mg Mg10 1 0.50000000 0.75944200 0.92195500 1.0 Mg Mg11 1 0.50000000 0.24055800 0.92195500 1.0 Mg Mg12 1 0.00000000 0.23888700 0.53607000 1.0 Mg Mg13 1 0.00000000 0.76111300 0.53607000 1.0 Mg Mg14 1 0.00000000 0.50000000 0.86820900 1.0 Mg Mg15 1 0.00000000 0.00000000 0.86234800 1.0