# generated using pymatgen data_Ba2Hg3(PdO2)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27724701 _cell_length_b 6.27724701 _cell_length_c 11.11679205 _cell_angle_alpha 89.66086318 _cell_angle_beta 89.66086318 _cell_angle_gamma 60.90422428 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Hg3(PdO2)7 _chemical_formula_sum 'Ba2 Hg3 Pd7 O14' _cell_volume 382.75752423 _cell_formula_units_Z 1 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 0.50252400 0.50252400 0.70475100 1.0 Ba Ba1 1 0.49747600 0.49747600 0.29524900 1.0 Hg Hg2 1 0.82508700 0.82508700 0.19549700 1.0 Hg Hg3 1 0.17491300 0.17491300 0.80450300 1.0 Hg Hg4 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd5 1 0.00000000 0.00000000 0.00000000 1.0 Pd Pd6 1 0.83327300 0.83327300 0.77841000 1.0 Pd Pd7 1 0.16672700 0.16672700 0.22159000 1.0 Pd Pd8 1 0.00000000 0.50000000 0.00000000 1.0 Pd Pd9 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd10 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd11 1 0.50000000 0.00000000 0.00000000 1.0 O O12 1 0.69119100 0.12305600 0.89770900 1.0 O O13 1 0.68853400 0.68853400 0.89949100 1.0 O O14 1 0.47972600 0.00837400 0.31634900 1.0 O O15 1 0.36353300 0.36353300 0.50269000 1.0 O O16 1 0.99162600 0.52027400 0.68365100 1.0 O O17 1 0.00580200 0.00580200 0.31341400 1.0 O O18 1 0.52027400 0.99162600 0.68365100 1.0 O O19 1 0.12305600 0.69119100 0.89770900 1.0 O O20 1 0.30880900 0.87694400 0.10229100 1.0 O O21 1 0.63646700 0.63646700 0.49731000 1.0 O O22 1 0.31146600 0.31146600 0.10050900 1.0 O O23 1 0.00837400 0.47972600 0.31634900 1.0 O O24 1 0.99419800 0.99419800 0.68658600 1.0 O O25 1 0.87694400 0.30880900 0.10229100 1.0