# generated using pymatgen data_CsHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88422551 _cell_length_b 7.88422510 _cell_length_c 5.52832702 _cell_angle_alpha 89.99998255 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99942447 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsHg3 _chemical_formula_sum 'Cs2 Hg6' _cell_volume 297.60822403 _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 0.33333490 0.66666610 0.75000000 1.0 Cs Cs1 1 0.66666610 0.33333490 0.25000000 1.0 Hg Hg2 1 0.13721177 0.27442584 0.25000100 1.0 Hg Hg3 1 0.72557516 0.86278823 0.25000000 1.0 Hg Hg4 1 0.13721320 0.86278680 0.25000100 1.0 Hg Hg5 1 0.86278923 0.72557516 0.74999900 1.0 Hg Hg6 1 0.27442484 0.13721177 0.74999900 1.0 Hg Hg7 1 0.86278780 0.13721420 0.74999900 1.0