# generated using pymatgen data_Cs2Hg27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.83327798 _cell_length_b 14.83327763 _cell_length_c 14.83327753 _cell_angle_alpha 109.47122048 _cell_angle_beta 109.47122001 _cell_angle_gamma 109.47122172 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2Hg27 _chemical_formula_sum 'Cs6 Hg81' _cell_volume 2512.40408661 _cell_formula_units_Z 3 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 0.30440231 0.80440231 1.0 Cs Cs1 1 0.80440231 0.50000000 0.30440231 1.0 Cs Cs2 1 0.69559769 0.19559769 0.50000000 1.0 Cs Cs3 1 0.30440231 0.80440231 0.50000000 1.0 Cs Cs4 1 0.50000000 0.69559769 0.19559769 1.0 Cs Cs5 1 0.19559769 0.50000000 0.69559769 1.0 Hg Hg6 1 0.49329471 0.58778778 0.90550793 1.0 Hg Hg7 1 0.45838985 0.72491029 0.73347956 1.0 Hg Hg8 1 0.90550793 0.49329471 0.58778778 1.0 Hg Hg9 1 0.72491029 0.26652044 0.99143073 1.0 Hg Hg10 1 0.31772015 0.41221222 0.90550793 1.0 Hg Hg11 1 0.06300136 0.16876566 0.89423570 1.0 Hg Hg12 1 0.16876566 0.10576430 0.27452996 1.0 Hg Hg13 1 0.54161015 0.27508971 0.26652044 1.0 Hg Hg14 1 0.28526071 0.38627410 0.10101339 1.0 Hg Hg15 1 0.00856927 0.27508971 0.73347956 1.0 Hg Hg16 1 0.83123434 0.10576430 0.93699864 1.0 Hg Hg17 1 0.96605492 0.17496144 0.49488146 1.0 Hg Hg18 1 0.50511854 0.68007998 0.47117346 1.0 Hg Hg19 1 0.31992002 0.82503856 0.79109348 1.0 Hg Hg20 1 0.68007998 0.17496144 0.20890652 1.0 Hg Hg21 1 0.50511854 0.03394508 0.82503856 1.0 Hg Hg22 1 -0.00000000 -0.00000000 0.64874486 1.0 Hg Hg23 1 0.90550793 0.31772015 0.41221222 1.0 Hg Hg24 1 0.10101339 0.28526071 0.38627410 1.0 Hg Hg25 1 0.49488146 0.31992002 0.52882654 1.0 Hg Hg26 1 0.09449207 0.50670529 0.41221222 1.0 Hg Hg27 1 0.26652044 0.99143073 0.72491029 1.0 Hg Hg28 1 0.49488146 0.96605492 0.17496144 1.0 Hg Hg29 1 0.00000000 0.35125514 0.00000000 1.0 Hg Hg30 1 0.58778778 0.90550793 0.49329471 1.0 Hg Hg31 1 0.26652044 0.54161015 0.27508971 1.0 Hg Hg32 1 0.20890652 0.68007998 0.17496144 1.0 Hg Hg33 1 1.00000000 0.64874486 1.00000000 1.0 Hg Hg34 1 0.73347956 0.45838985 0.72491029 1.0 Hg Hg35 1 0.52882654 0.20890652 0.03394508 1.0 Hg Hg36 1 0.27508971 0.73347956 0.00856927 1.0 Hg Hg37 1 0.71473929 0.81575367 0.10101339 1.0 Hg Hg38 1 0.96605492 0.47117346 0.79109348 1.0 Hg Hg39 1 0.64874486 0.64874486 0.64874486 1.0 Hg Hg40 1 0.38627410 0.10101339 0.28526071 1.0 Hg Hg41 1 0.35125514 -0.00000000 1.00000000 1.0 Hg Hg42 1 0.10576430 0.93699864 0.83123434 1.0 Hg Hg43 1 0.68227985 0.58778778 0.09449207 1.0 Hg Hg44 1 0.41221222 0.09449207 0.50670529 1.0 Hg Hg45 1 0.79109348 0.31992002 0.82503856 1.0 Hg Hg46 1 0.73347956 0.00856927 0.27508971 1.0 Hg Hg47 1 0.89423570 0.06300136 0.16876566 1.0 Hg Hg48 1 0.47117346 0.79109348 0.96605492 1.0 Hg Hg49 1 0.58778778 0.09449207 0.68227985 1.0 Hg Hg50 1 0.72491029 0.73347956 0.45838985 1.0 Hg Hg51 1 0.16876566 0.89423570 0.06300136 1.0 Hg Hg52 1 0.20890652 0.03394508 0.52882654 1.0 Hg Hg53 1 0.79109348 0.96605492 0.47117346 1.0 Hg Hg54 1 0.72547004 0.83123434 0.89423570 1.0 Hg Hg55 1 0.89423570 0.72547004 0.83123434 1.0 Hg Hg56 1 0.52882654 0.49488146 0.31992002 1.0 Hg Hg57 1 0.35125514 0.35125514 0.35125514 1.0 Hg Hg58 1 0.28526071 0.18424633 0.89898661 1.0 Hg Hg59 1 0.61372590 0.89898661 0.71473929 1.0 Hg Hg60 1 0.81575367 0.10101339 0.71473929 1.0 Hg Hg61 1 0.64874486 -0.00000000 0.00000000 1.0 Hg Hg62 1 0.89898661 0.71473929 0.61372590 1.0 Hg Hg63 1 0.93699864 0.83123434 0.10576430 1.0 Hg Hg64 1 0.83123434 0.89423570 0.72547004 1.0 Hg Hg65 1 0.68007998 0.47117346 0.50511854 1.0 Hg Hg66 1 0.82503856 0.50511854 0.03394508 1.0 Hg Hg67 1 0.50670529 0.41221222 0.09449207 1.0 Hg Hg68 1 0.31992002 0.52882654 0.49488146 1.0 Hg Hg69 1 0.99143073 0.72491029 0.26652044 1.0 Hg Hg70 1 0.82503856 0.79109348 0.31992002 1.0 Hg Hg71 1 0.03394508 0.82503856 0.50511854 1.0 Hg Hg72 1 -0.00000000 -0.00000000 0.35125514 1.0 Hg Hg73 1 0.71473929 0.61372590 0.89898661 1.0 Hg Hg74 1 0.89898661 0.28526071 0.18424633 1.0 Hg Hg75 1 0.09449207 0.68227985 0.58778778 1.0 Hg Hg76 1 0.47117346 0.50511854 0.68007998 1.0 Hg Hg77 1 0.03394508 0.52882654 0.20890652 1.0 Hg Hg78 1 0.17496144 0.49488146 0.96605492 1.0 Hg Hg79 1 -0.00000000 -0.00000000 -0.00000000 1.0 Hg Hg80 1 0.10576430 0.27452996 0.16876566 1.0 Hg Hg81 1 0.41221222 0.90550793 0.31772015 1.0 Hg Hg82 1 0.17496144 0.20890652 0.68007998 1.0 Hg Hg83 1 0.27508971 0.26652044 0.54161015 1.0 Hg Hg84 1 0.18424633 0.89898661 0.28526071 1.0 Hg Hg85 1 0.10101339 0.71473929 0.81575367 1.0 Hg Hg86 1 0.27452996 0.16876566 0.10576430 1.0