# generated using pymatgen data_Hg6Cl3O2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.16764560 _cell_length_b 14.16764560 _cell_length_c 14.16764560 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg6Cl3O2 _chemical_formula_sum 'Hg48 Cl24 O16' _cell_volume 2189.12803486 _cell_formula_units_Z 8 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 0.15806100 0.47807000 0.66028500 1.0 Hg Hg1 1 0.31778500 0.32000900 0.47807000 1.0 Hg Hg2 1 0.00222400 0.18221500 0.66028500 1.0 Hg Hg3 1 0.67999100 0.65806100 0.99777600 1.0 Hg Hg4 1 0.66028500 0.15806100 0.47807000 1.0 Hg Hg5 1 0.33971500 0.84193900 0.52193000 1.0 Hg Hg6 1 0.18221500 0.66028500 0.00222400 1.0 Hg Hg7 1 0.50222400 0.16028500 0.68221500 1.0 Hg Hg8 1 0.16028500 0.68221500 0.50222400 1.0 Hg Hg9 1 0.32000900 0.47807000 0.31778500 1.0 Hg Hg10 1 0.65806100 0.16028500 0.97807000 1.0 Hg Hg11 1 0.02193000 0.17999100 0.18221500 1.0 Hg Hg12 1 0.34193900 0.00222400 0.32000900 1.0 Hg Hg13 1 0.18221500 0.02193000 0.17999100 1.0 Hg Hg14 1 0.81778500 0.33971500 0.99777600 1.0 Hg Hg15 1 0.68221500 0.50222400 0.16028500 1.0 Hg Hg16 1 0.47807000 0.66028500 0.15806100 1.0 Hg Hg17 1 0.99777600 0.67999100 0.65806100 1.0 Hg Hg18 1 0.49777600 0.83971500 0.31778500 1.0 Hg Hg19 1 0.99777600 0.81778500 0.33971500 1.0 Hg Hg20 1 0.65806100 0.99777600 0.67999100 1.0 Hg Hg21 1 0.52193000 0.33971500 0.84193900 1.0 Hg Hg22 1 0.33971500 0.99777600 0.81778500 1.0 Hg Hg23 1 0.17999100 0.18221500 0.02193000 1.0 Hg Hg24 1 0.52193000 0.68221500 0.67999100 1.0 Hg Hg25 1 0.67999100 0.52193000 0.68221500 1.0 Hg Hg26 1 0.83971500 0.31778500 0.49777600 1.0 Hg Hg27 1 0.31778500 0.49777600 0.83971500 1.0 Hg Hg28 1 0.00222400 0.32000900 0.34193900 1.0 Hg Hg29 1 0.97807000 0.82000900 0.81778500 1.0 Hg Hg30 1 0.32000900 0.34193900 0.00222400 1.0 Hg Hg31 1 0.15806100 0.17999100 0.49777600 1.0 Hg Hg32 1 0.81778500 0.97807000 0.82000900 1.0 Hg Hg33 1 0.34193900 0.83971500 0.02193000 1.0 Hg Hg34 1 0.82000900 0.50222400 0.84193900 1.0 Hg Hg35 1 0.82000900 0.81778500 0.97807000 1.0 Hg Hg36 1 0.84193900 0.82000900 0.50222400 1.0 Hg Hg37 1 0.97807000 0.65806100 0.16028500 1.0 Hg Hg38 1 0.49777600 0.15806100 0.17999100 1.0 Hg Hg39 1 0.02193000 0.34193900 0.83971500 1.0 Hg Hg40 1 0.16028500 0.97807000 0.65806100 1.0 Hg Hg41 1 0.66028500 0.00222400 0.18221500 1.0 Hg Hg42 1 0.50222400 0.84193900 0.82000900 1.0 Hg Hg43 1 0.83971500 0.02193000 0.34193900 1.0 Hg Hg44 1 0.47807000 0.31778500 0.32000900 1.0 Hg Hg45 1 0.84193900 0.52193000 0.33971500 1.0 Hg Hg46 1 0.17999100 0.49777600 0.15806100 1.0 Hg Hg47 1 0.68221500 0.67999100 0.52193000 1.0 Cl Cl48 1 0.98685100 0.51314900 0.75000000 1.0 Cl Cl49 1 0.47370100 0.48685100 0.73685100 1.0 Cl Cl50 1 0.23685100 0.75000000 0.26314900 1.0 Cl Cl51 1 0.25000000 0.01314900 0.48685100 1.0 Cl Cl52 1 0.26314900 0.23685100 0.75000000 1.0 Cl Cl53 1 0.97370100 0.23685100 0.98685100 1.0 Cl Cl54 1 0.76314900 0.25000000 0.73685100 1.0 Cl Cl55 1 0.23685100 0.98685100 0.97370100 1.0 Cl Cl56 1 0.51314900 0.75000000 0.98685100 1.0 Cl Cl57 1 0.25000000 0.73685100 0.76314900 1.0 Cl Cl58 1 0.98685100 0.97370100 0.23685100 1.0 Cl Cl59 1 0.73685100 0.76314900 0.25000000 1.0 Cl Cl60 1 0.26314900 0.52629900 0.51314900 1.0 Cl Cl61 1 0.76314900 0.01314900 0.02629900 1.0 Cl Cl62 1 0.01314900 0.02629900 0.76314900 1.0 Cl Cl63 1 0.48685100 0.25000000 0.01314900 1.0 Cl Cl64 1 0.75000000 0.98685100 0.51314900 1.0 Cl Cl65 1 0.01314900 0.48685100 0.25000000 1.0 Cl Cl66 1 0.73685100 0.47370100 0.48685100 1.0 Cl Cl67 1 0.52629900 0.51314900 0.26314900 1.0 Cl Cl68 1 0.75000000 0.26314900 0.23685100 1.0 Cl Cl69 1 0.48685100 0.73685100 0.47370100 1.0 Cl Cl70 1 0.02629900 0.76314900 0.01314900 1.0 Cl Cl71 1 0.51314900 0.26314900 0.52629900 1.0 O O72 1 0.00000000 0.90309300 0.50000000 1.0 O O73 1 0.00000000 0.09690700 0.50000000 1.0 O O74 1 0.59690700 0.50000000 0.00000000 1.0 O O75 1 0.40309300 0.50000000 0.00000000 1.0 O O76 1 0.40309300 0.40309300 0.40309300 1.0 O O77 1 0.50000000 0.00000000 0.09690700 1.0 O O78 1 0.59690700 0.59690700 0.59690700 1.0 O O79 1 0.00000000 0.59690700 0.50000000 1.0 O O80 1 0.09690700 0.09690700 0.09690700 1.0 O O81 1 0.50000000 0.00000000 0.40309300 1.0 O O82 1 0.00000000 0.40309300 0.50000000 1.0 O O83 1 0.50000000 0.00000000 0.90309300 1.0 O O84 1 0.90309300 0.50000000 0.00000000 1.0 O O85 1 0.50000000 0.00000000 0.59690700 1.0 O O86 1 0.09690700 0.50000000 0.00000000 1.0 O O87 1 0.90309300 0.90309300 0.90309300 1.0