# generated using pymatgen data_Hg12SbBr(ClO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.36482579 _cell_length_b 14.36482579 _cell_length_c 9.94116300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg12SbBr(ClO3)2 _chemical_formula_sum 'Hg36 Sb3 Br3 Cl6 O18' _cell_volume 1776.51368669 _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 Hg Hg0 1 0.83893500 0.36975100 0.27380200 1.0 Hg Hg1 1 0.96421500 0.50211200 0.93972100 1.0 Hg Hg2 1 0.29213900 0.49120700 0.60753800 1.0 Hg Hg3 1 0.49788800 0.46210300 0.93972100 1.0 Hg Hg4 1 0.87567000 0.69557800 0.60041800 1.0 Hg Hg5 1 0.21321700 0.84416300 0.29228700 1.0 Hg Hg6 1 0.45823800 0.84822300 0.06565300 1.0 Hg Hg7 1 0.30442200 0.18009200 0.60041800 1.0 Hg Hg8 1 0.36715100 0.22273900 0.05592800 1.0 Hg Hg9 1 0.02884100 0.48663200 0.38808000 1.0 Hg Hg10 1 0.15177700 0.61001500 0.06565300 1.0 Hg Hg11 1 0.70582900 0.86528200 0.69844300 1.0 Hg Hg12 1 0.38998500 0.54176200 0.06565300 1.0 Hg Hg13 1 0.77726100 0.14441300 0.05592800 1.0 Hg Hg14 1 0.18500000 0.09149100 0.92456600 1.0 Hg Hg15 1 0.63094600 0.78678300 0.29228700 1.0 Hg Hg16 1 0.81990800 0.12433000 0.60041800 1.0 Hg Hg17 1 0.85558700 0.63284900 0.05592800 1.0 Hg Hg18 1 0.53081600 0.16106500 0.27380200 1.0 Hg Hg19 1 0.51336800 0.54220900 0.38808000 1.0 Hg Hg20 1 0.53789700 0.03578500 0.93972100 1.0 Hg Hg21 1 0.15583700 0.36905400 0.29228700 1.0 Hg Hg22 1 0.74723500 0.51986500 0.73851900 1.0 Hg Hg23 1 0.13471800 0.84054600 0.69844300 1.0 Hg Hg24 1 0.19906700 0.70786100 0.60753800 1.0 Hg Hg25 1 0.50879300 0.80093300 0.60753800 1.0 Hg Hg26 1 0.13687700 0.96826600 0.38470000 1.0 Hg Hg27 1 0.90649100 0.81500000 0.92456600 1.0 Hg Hg28 1 0.03173400 0.16861000 0.38470000 1.0 Hg Hg29 1 0.45779100 0.97115900 0.38808000 1.0 Hg Hg30 1 0.63024900 0.46918400 0.27380200 1.0 Hg Hg31 1 0.48013500 0.22737000 0.73851900 1.0 Hg Hg32 1 0.83139000 0.86312300 0.38470000 1.0 Hg Hg33 1 0.77263000 0.25276500 0.73851900 1.0 Hg Hg34 1 0.15945400 0.29417100 0.69844300 1.0 Hg Hg35 1 0.90850900 0.09350900 0.92456600 1.0 Sb Sb36 1 0.33333300 0.66666700 0.32649100 1.0 Sb Sb37 1 0.66666700 0.33333300 0.00535800 1.0 Sb Sb38 1 0.00000000 0.00000000 0.66015400 1.0 Br Br39 1 0.00000000 0.00000000 0.17194000 1.0 Br Br40 1 0.33333300 0.66666700 0.82266400 1.0 Br Br41 1 0.66666700 0.33333300 0.49128500 1.0 Cl Cl42 1 0.76141700 0.08980200 0.33001100 1.0 Cl Cl43 1 0.53094000 0.53960400 0.67205800 1.0 Cl Cl44 1 0.91019800 0.67161500 0.33001100 1.0 Cl Cl45 1 0.32838500 0.23858300 0.33001100 1.0 Cl Cl46 1 0.46039600 0.99133600 0.67205800 1.0 Cl Cl47 1 0.00866400 0.46906000 0.67205800 1.0 O O48 1 0.46579800 0.72353200 0.20111100 1.0 O O49 1 0.27646800 0.74226600 0.20111100 1.0 O O50 1 0.61468000 0.41006400 0.87856000 1.0 O O51 1 0.95657000 0.87125900 0.53634800 1.0 O O52 1 0.86854100 0.92260400 0.78652500 1.0 O O53 1 0.79538400 0.38532000 0.87856000 1.0 O O54 1 0.58993600 0.20461600 0.87856000 1.0 O O55 1 0.05406300 0.13145900 0.78652500 1.0 O O56 1 0.40271100 0.60385000 0.44854000 1.0 O O57 1 0.39615000 0.79886100 0.44854000 1.0 O O58 1 0.71218000 0.25050200 0.13136100 1.0 O O59 1 0.74949800 0.46167800 0.13136100 1.0 O O60 1 0.25773400 0.53420200 0.20111100 1.0 O O61 1 0.53832200 0.28782000 0.13136100 1.0 O O62 1 0.12874100 0.08531100 0.53634800 1.0 O O63 1 0.20113900 0.59728900 0.44854000 1.0 O O64 1 0.91468900 0.04343000 0.53634800 1.0 O O65 1 0.07739600 0.94593700 0.78652500 1.0