# generated using pymatgen data_Cs3Hg20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.37172770 _cell_length_b 11.37172770 _cell_length_c 11.37172770 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3Hg20 _chemical_formula_sum 'Cs6 Hg40' _cell_volume 1470.54850992 _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 0.25000000 0.50000000 1.0 Cs Cs1 1 -0.00000000 0.75000000 0.50000000 1.0 Cs Cs2 1 0.50000000 -0.00000000 0.75000000 1.0 Cs Cs3 1 0.50000000 -0.00000000 0.25000000 1.0 Cs Cs4 1 0.75000000 0.50000000 0.00000000 1.0 Cs Cs5 1 0.25000000 0.50000000 0.00000000 1.0 Hg Hg6 1 0.50000000 0.63470651 0.75597573 1.0 Hg Hg7 1 0.36529349 0.75597573 0.50000000 1.0 Hg Hg8 1 0.63470651 0.24402427 0.50000000 1.0 Hg Hg9 1 -0.00000000 0.25597573 0.13470651 1.0 Hg Hg10 1 0.13470651 -0.00000000 0.25597573 1.0 Hg Hg11 1 0.86529349 -0.00000000 0.25597573 1.0 Hg Hg12 1 -0.00000000 0.74402427 0.86529349 1.0 Hg Hg13 1 0.86529349 -0.00000000 0.74402427 1.0 Hg Hg14 1 -0.00000000 0.74402427 0.13470651 1.0 Hg Hg15 1 -0.00000000 0.25597573 0.86529349 1.0 Hg Hg16 1 0.13470651 -0.00000000 0.74402427 1.0 Hg Hg17 1 0.25597573 0.86529349 0.00000000 1.0 Hg Hg18 1 0.74402427 0.13470651 0.00000000 1.0 Hg Hg19 1 0.74402427 0.86529349 0.00000000 1.0 Hg Hg20 1 0.63470651 0.75597573 0.50000000 1.0 Hg Hg21 1 0.36529349 0.24402427 0.50000000 1.0 Hg Hg22 1 0.50000000 0.36529349 0.75597573 1.0 Hg Hg23 1 0.50000000 0.36529349 0.24402427 1.0 Hg Hg24 1 0.24402427 0.50000000 0.63470651 1.0 Hg Hg25 1 0.24402427 0.50000000 0.36529349 1.0 Hg Hg26 1 0.25000000 0.25000000 0.25000000 1.0 Hg Hg27 1 0.75000000 0.25000000 0.75000000 1.0 Hg Hg28 1 0.75000000 0.75000000 0.25000000 1.0 Hg Hg29 1 0.25000000 0.75000000 0.75000000 1.0 Hg Hg30 1 0.75000000 0.75000000 0.75000000 1.0 Hg Hg31 1 0.25000000 0.75000000 0.25000000 1.0 Hg Hg32 1 0.25000000 0.25000000 0.75000000 1.0 Hg Hg33 1 0.75000000 0.25000000 0.25000000 1.0 Hg Hg34 1 0.25000000 -0.00000000 0.50000000 1.0 Hg Hg35 1 0.75000000 -0.00000000 0.50000000 1.0 Hg Hg36 1 -0.00000000 0.50000000 0.25000000 1.0 Hg Hg37 1 -0.00000000 0.50000000 0.75000000 1.0 Hg Hg38 1 0.50000000 0.75000000 0.00000000 1.0 Hg Hg39 1 0.50000000 0.25000000 0.00000000 1.0 Hg Hg40 1 0.50000000 0.63470651 0.24402427 1.0 Hg Hg41 1 0.75597573 0.50000000 0.36529349 1.0 Hg Hg42 1 0.75597573 0.50000000 0.63470651 1.0 Hg Hg43 1 0.25597573 0.13470651 0.00000000 1.0 Hg Hg44 1 0.50000000 0.50000000 0.50000000 1.0 Hg Hg45 1 -0.00000000 -0.00000000 0.00000000 1.0