# generated using pymatgen data_CsMg6Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33121300 _cell_length_b 6.92884800 _cell_length_c 11.18430100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsMg6Nb _chemical_formula_sum 'Cs2 Mg12 Nb2' _cell_volume 413.13873482 _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 0.36408900 1.0 Cs Cs1 1 0.00000000 0.00000000 0.86408900 1.0 Mg Mg2 1 0.00000000 0.29309000 0.09513600 1.0 Mg Mg3 1 0.00000000 0.70691000 0.09513600 1.0 Mg Mg4 1 0.00000000 0.50000000 0.81670000 1.0 Mg Mg5 1 0.50000000 0.28485100 0.91641500 1.0 Mg Mg6 1 0.50000000 0.71514900 0.91641500 1.0 Mg Mg7 1 0.50000000 0.50000000 0.65190100 1.0 Mg Mg8 1 0.00000000 0.79309000 0.59513600 1.0 Mg Mg9 1 0.00000000 0.20691000 0.59513600 1.0 Mg Mg10 1 0.00000000 0.00000000 0.31670000 1.0 Mg Mg11 1 0.50000000 0.78485100 0.41641500 1.0 Mg Mg12 1 0.50000000 0.21514900 0.41641500 1.0 Mg Mg13 1 0.50000000 0.00000000 0.15190100 1.0 Nb Nb14 1 0.50000000 0.50000000 0.14420600 1.0 Nb Nb15 1 0.50000000 0.00000000 0.64420600 1.0