# generated using pymatgen data_KHg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44235176 _cell_length_b 10.78334963 _cell_length_c 13.80324086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHg6 _chemical_formula_sum 'K4 Hg24' _cell_volume 810.06778500 _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 K K0 1 0.25000000 0.12984778 0.81875840 1.0 K K1 1 0.25000000 0.37015222 0.31875840 1.0 K K2 1 0.75000000 0.87015222 0.18124160 1.0 K K3 1 0.75000000 0.62984778 0.68124160 1.0 Hg Hg4 1 0.25000000 0.13936364 0.54741614 1.0 Hg Hg5 1 0.25000000 0.36063636 0.04741614 1.0 Hg Hg6 1 0.75000000 0.86063636 0.45258386 1.0 Hg Hg7 1 0.75000000 0.63936364 0.95258386 1.0 Hg Hg8 1 0.25000000 0.85627581 0.59196235 1.0 Hg Hg9 1 0.25000000 0.64372419 0.09196235 1.0 Hg Hg10 1 0.75000000 0.14372419 0.40803765 1.0 Hg Hg11 1 0.75000000 0.35627581 0.90803765 1.0 Hg Hg12 1 0.25000000 0.39593427 0.64113122 1.0 Hg Hg13 1 0.25000000 0.10406573 0.14113122 1.0 Hg Hg14 1 0.75000000 0.60406573 0.35886878 1.0 Hg Hg15 1 0.75000000 0.89593427 0.85886878 1.0 Hg Hg16 1 0.25000000 0.76617145 0.80495937 1.0 Hg Hg17 1 0.25000000 0.73382855 0.30495937 1.0 Hg Hg18 1 0.75000000 0.23382855 0.19504063 1.0 Hg Hg19 1 0.75000000 0.26617145 0.69504063 1.0 Hg Hg20 1 0.25000000 0.49374083 0.84873183 1.0 Hg Hg21 1 0.25000000 0.00625917 0.34873183 1.0 Hg Hg22 1 0.75000000 0.50625917 0.15126817 1.0 Hg Hg23 1 0.75000000 0.99374083 0.65126817 1.0 Hg Hg24 1 0.25000000 0.89548423 0.00195494 1.0 Hg Hg25 1 0.25000000 0.60451577 0.50195494 1.0 Hg Hg26 1 0.75000000 0.10451577 0.99804506 1.0 Hg Hg27 1 0.75000000 0.39548423 0.49804506 1.0