# generated using pymatgen data_CsMg6B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23956200 _cell_length_b 8.73563500 _cell_length_c 14.76287900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsMg6B _chemical_formula_sum 'Cs2 Mg12 B2' _cell_volume 417.78403103 _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 0.00000000 0.16437700 1.0 Cs Cs1 1 0.00000000 0.50000000 0.66437700 1.0 Mg Mg2 1 0.00000000 0.80119500 0.36667000 1.0 Mg Mg3 1 0.00000000 0.19880500 0.36667000 1.0 Mg Mg4 1 0.00000000 0.00000000 0.71195300 1.0 Mg Mg5 1 0.50000000 0.83561900 0.53822600 1.0 Mg Mg6 1 0.50000000 0.16438100 0.53822600 1.0 Mg Mg7 1 0.50000000 0.00000000 0.91296200 1.0 Mg Mg8 1 0.00000000 0.30119500 0.86667000 1.0 Mg Mg9 1 0.00000000 0.69880500 0.86667000 1.0 Mg Mg10 1 0.00000000 0.50000000 0.21195300 1.0 Mg Mg11 1 0.50000000 0.33561900 0.03822600 1.0 Mg Mg12 1 0.50000000 0.66438100 0.03822600 1.0 Mg Mg13 1 0.50000000 0.50000000 0.41296200 1.0 B B14 1 0.50000000 0.00000000 0.40091500 1.0 B B15 1 0.50000000 0.50000000 0.90091500 1.0