# generated using pymatgen data_CsMg6Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82855300 _cell_length_b 5.97166600 _cell_length_c 18.08042500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsMg6Cu _chemical_formula_sum 'Cs2 Mg12 Cu2' _cell_volume 521.34011915 _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 0.50000000 0.22592300 1.0 Cs Cs1 1 0.50000000 0.00000000 0.72592300 1.0 Mg Mg2 1 0.00000000 0.74535900 0.03061700 1.0 Mg Mg3 1 0.00000000 0.25464100 0.03061700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.36967000 1.0 Mg Mg5 1 0.50000000 0.25671600 0.42546000 1.0 Mg Mg6 1 0.50000000 0.74328400 0.42546000 1.0 Mg Mg7 1 0.50000000 0.00000000 0.08657600 1.0 Mg Mg8 1 0.00000000 0.24535900 0.53061700 1.0 Mg Mg9 1 0.00000000 0.75464100 0.53061700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.86967000 1.0 Mg Mg11 1 0.50000000 0.75671600 0.92546000 1.0 Mg Mg12 1 0.50000000 0.24328400 0.92546000 1.0 Mg Mg13 1 0.50000000 0.50000000 0.58657600 1.0 Cu Cu14 1 0.00000000 0.50000000 0.40567500 1.0 Cu Cu15 1 0.00000000 0.00000000 0.90567500 1.0