# generated using pymatgen data_CsBaMg14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77166365 _cell_length_b 6.69438327 _cell_length_c 11.09250035 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.62320209 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsBaMg14 _chemical_formula_sum 'Cs1 Ba1 Mg14' _cell_volume 437.12183653 _cell_formula_units_Z 1 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 0.17306015 0.33652958 0.12500000 1.0 Ba Ba1 1 0.18095625 0.84047763 0.12500000 1.0 Mg Mg2 1 0.15893875 0.32946887 0.62500000 1.0 Mg Mg3 1 0.15784686 0.82892293 0.62500000 1.0 Mg Mg4 1 0.67306887 0.34003222 0.12500000 1.0 Mg Mg5 1 0.67099816 0.33593865 0.62500000 1.0 Mg Mg6 1 0.67306887 0.83303565 0.12500000 1.0 Mg Mg7 1 0.67099816 0.83505851 0.62500000 1.0 Mg Mg8 1 0.34145496 0.16868608 0.40530917 1.0 Mg Mg9 1 0.34145496 0.16868608 0.84469083 1.0 Mg Mg10 1 0.34145496 0.67276988 0.40530917 1.0 Mg Mg11 1 0.34145496 0.67276988 0.84469083 1.0 Mg Mg12 1 0.81615217 0.15807659 0.38956982 1.0 Mg Mg13 1 0.81615217 0.15807659 0.86043018 1.0 Mg Mg14 1 0.82146987 0.66073543 0.38498463 1.0 Mg Mg15 1 0.82146987 0.66073543 0.86501537 1.0