# generated using pymatgen data_Ba3ZnHg10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27195500 _cell_length_b 7.42611500 _cell_length_c 17.67919200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3ZnHg10 _chemical_formula_sum 'Ba6 Zn2 Hg20' _cell_volume 823.43062736 _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 Ba Ba0 1 0.45628000 0.75000000 0.75000000 1.0 Ba Ba1 1 0.54598500 0.25000000 0.25000000 1.0 Ba Ba2 1 0.82282400 0.75000000 0.07093800 1.0 Ba Ba3 1 0.82282400 0.75000000 0.42906200 1.0 Ba Ba4 1 0.17542200 0.25000000 0.93258100 1.0 Ba Ba5 1 0.17542200 0.25000000 0.56741900 1.0 Zn Zn6 1 0.02600100 0.25000000 0.36073500 1.0 Zn Zn7 1 0.02600100 0.25000000 0.13926500 1.0 Hg Hg8 1 0.35725500 0.75000000 0.54293600 1.0 Hg Hg9 1 0.35725500 0.75000000 0.95706400 1.0 Hg Hg10 1 0.67027100 0.25000000 0.44921100 1.0 Hg Hg11 1 0.67027100 0.25000000 0.05078900 1.0 Hg Hg12 1 0.66052500 0.04043500 0.60187200 1.0 Hg Hg13 1 0.66052500 0.45956500 0.60187200 1.0 Hg Hg14 1 0.66052500 0.04043500 0.89812800 1.0 Hg Hg15 1 0.66052500 0.45956500 0.89812800 1.0 Hg Hg16 1 0.32550700 0.97291500 0.39615700 1.0 Hg Hg17 1 0.32550700 0.52708500 0.39615700 1.0 Hg Hg18 1 0.32550700 0.97291500 0.10384300 1.0 Hg Hg19 1 0.32550700 0.52708500 0.10384300 1.0 Hg Hg20 1 0.98324900 0.05358000 0.75000000 1.0 Hg Hg21 1 0.98324900 0.44642000 0.75000000 1.0 Hg Hg22 1 0.01491600 0.96163900 0.25000000 1.0 Hg Hg23 1 0.01491600 0.53836100 0.25000000 1.0 Hg Hg24 1 0.52018400 0.75000000 0.25000000 1.0 Hg Hg25 1 0.47706500 0.25000000 0.75000000 1.0 Hg Hg26 1 0.97824200 0.75000000 0.63673500 1.0 Hg Hg27 1 0.97824200 0.75000000 0.86326500 1.0