# generated using pymatgen data_CuH12(BrO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.56587300 _cell_length_b 10.56587300 _cell_length_c 10.56587300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuH12(BrO6)2 _chemical_formula_sum 'Cu4 H48 Br8 O48' _cell_volume 1179.54946703 _cell_formula_units_Z 4 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 Cu Cu0 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu1 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu2 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu3 1 0.00000000 0.00000000 0.00000000 1.0 H H4 1 0.11301700 0.60899900 0.22728900 1.0 H H5 1 0.88698300 0.10899900 0.27271100 1.0 H H6 1 0.38698300 0.39100100 0.72728900 1.0 H H7 1 0.61301700 0.89100100 0.77271100 1.0 H H8 1 0.22728900 0.11301700 0.60899900 1.0 H H9 1 0.27271100 0.88698300 0.10899900 1.0 H H10 1 0.72728900 0.38698300 0.39100100 1.0 H H11 1 0.77271100 0.61301700 0.89100100 1.0 H H12 1 0.60899900 0.22728900 0.11301700 1.0 H H13 1 0.10899900 0.27271100 0.88698300 1.0 H H14 1 0.39100100 0.72728900 0.38698300 1.0 H H15 1 0.89100100 0.77271100 0.61301700 1.0 H H16 1 0.88698300 0.39100100 0.77271100 1.0 H H17 1 0.11301700 0.89100100 0.72728900 1.0 H H18 1 0.61301700 0.60899900 0.27271100 1.0 H H19 1 0.38698300 0.10899900 0.22728900 1.0 H H20 1 0.77271100 0.88698300 0.39100100 1.0 H H21 1 0.72728900 0.11301700 0.89100100 1.0 H H22 1 0.27271100 0.61301700 0.60899900 1.0 H H23 1 0.22728900 0.38698300 0.10899900 1.0 H H24 1 0.39100100 0.77271100 0.88698300 1.0 H H25 1 0.89100100 0.72728900 0.11301700 1.0 H H26 1 0.60899900 0.27271100 0.61301700 1.0 H H27 1 0.10899900 0.22728900 0.38698300 1.0 H H28 1 0.18621600 0.39556500 0.90394900 1.0 H H29 1 0.81378400 0.89556500 0.59605100 1.0 H H30 1 0.31378400 0.60443500 0.40394900 1.0 H H31 1 0.68621600 0.10443500 0.09605100 1.0 H H32 1 0.90394900 0.18621600 0.39556500 1.0 H H33 1 0.59605100 0.81378400 0.89556500 1.0 H H34 1 0.40394900 0.31378400 0.60443500 1.0 H H35 1 0.09605100 0.68621600 0.10443500 1.0 H H36 1 0.39556500 0.90394900 0.18621600 1.0 H H37 1 0.89556500 0.59605100 0.81378400 1.0 H H38 1 0.60443500 0.40394900 0.31378400 1.0 H H39 1 0.10443500 0.09605100 0.68621600 1.0 H H40 1 0.81378400 0.60443500 0.09605100 1.0 H H41 1 0.18621600 0.10443500 0.40394900 1.0 H H42 1 0.68621600 0.39556500 0.59605100 1.0 H H43 1 0.31378400 0.89556500 0.90394900 1.0 H H44 1 0.09605100 0.81378400 0.60443500 1.0 H H45 1 0.40394900 0.18621600 0.10443500 1.0 H H46 1 0.59605100 0.68621600 0.39556500 1.0 H H47 1 0.90394900 0.31378400 0.89556500 1.0 H H48 1 0.60443500 0.09605100 0.81378400 1.0 H H49 1 0.10443500 0.40394900 0.18621600 1.0 H H50 1 0.39556500 0.59605100 0.68621600 1.0 H H51 1 0.89556500 0.90394900 0.31378400 1.0 Br Br52 1 0.15868000 0.84132000 0.34132000 1.0 Br Br53 1 0.84132000 0.34132000 0.15868000 1.0 Br Br54 1 0.34132000 0.15868000 0.84132000 1.0 Br Br55 1 0.65868000 0.65868000 0.65868000 1.0 Br Br56 1 0.84132000 0.15868000 0.65868000 1.0 Br Br57 1 0.15868000 0.65868000 0.84132000 1.0 Br Br58 1 0.65868000 0.84132000 0.15868000 1.0 Br Br59 1 0.34132000 0.34132000 0.34132000 1.0 O O60 1 0.15655500 0.63264800 0.14959400 1.0 O O61 1 0.84344500 0.13264800 0.35040600 1.0 O O62 1 0.34344500 0.36735200 0.64959400 1.0 O O63 1 0.65655500 0.86735200 0.85040600 1.0 O O64 1 0.14959400 0.15655500 0.63264800 1.0 O O65 1 0.35040600 0.84344500 0.13264800 1.0 O O66 1 0.64959400 0.34344500 0.36735200 1.0 O O67 1 0.85040600 0.65655500 0.86735200 1.0 O O68 1 0.63264800 0.14959400 0.15655500 1.0 O O69 1 0.13264800 0.35040600 0.84344500 1.0 O O70 1 0.36735200 0.64959400 0.34344500 1.0 O O71 1 0.86735200 0.85040600 0.65655500 1.0 O O72 1 0.84344500 0.36735200 0.85040600 1.0 O O73 1 0.15655500 0.86735200 0.64959400 1.0 O O74 1 0.65655500 0.63264800 0.35040600 1.0 O O75 1 0.34344500 0.13264800 0.14959400 1.0 O O76 1 0.85040600 0.84344500 0.36735200 1.0 O O77 1 0.64959400 0.15655500 0.86735200 1.0 O O78 1 0.35040600 0.65655500 0.63264800 1.0 O O79 1 0.14959400 0.34344500 0.13264800 1.0 O O80 1 0.36735200 0.85040600 0.84344500 1.0 O O81 1 0.86735200 0.64959400 0.15655500 1.0 O O82 1 0.63264800 0.35040600 0.65655500 1.0 O O83 1 0.13264800 0.14959400 0.34344500 1.0 O O84 1 0.51561500 0.60461100 0.85707600 1.0 O O85 1 0.48438500 0.10461100 0.64292400 1.0 O O86 1 0.98438500 0.39538900 0.35707600 1.0 O O87 1 0.01561500 0.89538900 0.14292400 1.0 O O88 1 0.85707600 0.51561500 0.60461100 1.0 O O89 1 0.64292400 0.48438500 0.10461100 1.0 O O90 1 0.35707600 0.98438500 0.39538900 1.0 O O91 1 0.14292400 0.01561500 0.89538900 1.0 O O92 1 0.60461100 0.85707600 0.51561500 1.0 O O93 1 0.10461100 0.64292400 0.48438500 1.0 O O94 1 0.39538900 0.35707600 0.98438500 1.0 O O95 1 0.89538900 0.14292400 0.01561500 1.0 O O96 1 0.48438500 0.39538900 0.14292400 1.0 O O97 1 0.51561500 0.89538900 0.35707600 1.0 O O98 1 0.01561500 0.60461100 0.64292400 1.0 O O99 1 0.98438500 0.10461100 0.85707600 1.0 O O100 1 0.14292400 0.48438500 0.39538900 1.0 O O101 1 0.35707600 0.51561500 0.89538900 1.0 O O102 1 0.64292400 0.01561500 0.60461100 1.0 O O103 1 0.85707600 0.98438500 0.10461100 1.0 O O104 1 0.39538900 0.14292400 0.48438500 1.0 O O105 1 0.89538900 0.35707600 0.51561500 1.0 O O106 1 0.60461100 0.64292400 0.01561500 1.0 O O107 1 0.10461100 0.85707600 0.98438500 1.0