# generated using pymatgen data_CsBaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45715000 _cell_length_b 7.67308300 _cell_length_c 12.63933500 _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 529.24895860 _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 0.00000000 0.50000000 0.34405000 1.0 Cs Cs1 1 0.00000000 0.00000000 0.84405000 1.0 Ba Ba2 1 0.50000000 0.50000000 0.15838900 1.0 Ba Ba3 1 0.50000000 0.00000000 0.65838900 1.0 Mg Mg4 1 0.00000000 0.78319600 0.08694500 1.0 Mg Mg5 1 0.00000000 0.21680400 0.08694500 1.0 Mg Mg6 1 0.00000000 0.50000000 0.83172500 1.0 Mg Mg7 1 0.50000000 0.70158400 0.91264900 1.0 Mg Mg8 1 0.50000000 0.29841600 0.91264900 1.0 Mg Mg9 1 0.50000000 0.50000000 0.66664800 1.0 Mg Mg10 1 0.00000000 0.28319600 0.58694500 1.0 Mg Mg11 1 0.00000000 0.71680400 0.58694500 1.0 Mg Mg12 1 0.00000000 0.00000000 0.33172500 1.0 Mg Mg13 1 0.50000000 0.20158400 0.41264900 1.0 Mg Mg14 1 0.50000000 0.79841600 0.41264900 1.0 Mg Mg15 1 0.50000000 0.00000000 0.16664800 1.0