data_K2HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgO4
_chemical_formula_sum   'K4 Hg2 O8'
_cell_volume   268.53
_cell_formula_units_Z   2
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  K2  1  0.84  0.84  0.4  1.0
  K  K3  1  0.4  0.84  0.84  1.0
  K  K4  1  0.4  0.4  0.4  1.0
  K  K5  1  0.84  0.4  0.84  1.0
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.56  0.56  0.56  1.0
  O  O6  1  0.3  0.3  0.06  1.0
  O  O7  1  0.74  0.74  0.74  1.0
  O  O8  1  0.74  0.5  0.5  1.0
  O  O9  1  0.5  0.74  0.5  1.0
  O  O10  1  0.3  0.06  0.3  1.0
  O  O11  1  0.06  0.06  0.06  1.0
  O  O12  1  0.06  0.3  0.3  1.0
  O  O13  1  0.5  0.5  0.74  1.0

data_K2HgO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   17.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K2HgO4
_chemical_formula_sum   'K12 Hg6 O24'
_cell_volume   805.58
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.19  0.37  0.97  1.0
  K  K1  3  0.0  0.0  0.6  1.0
  Hg  Hg2  3  0.0  0.0  0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.44  1.0
  O  O4  9  0.08  0.16  0.42  1.0
  O  O5  9  0.16  0.08  0.78  1.0
  O  O6  3  0.0  0.0  0.26  1.0
  O  O7  3  0.0  0.0  0.94  1.0

K K K K Hg Hg O O O O O O O O
K K K K Hg Hg O O O O O O O O 0 9 o o o 0 8 o o o 0 7 o o o 0 11 + + o 0 4 + + o 0 2 + o o 0 2 o + o 1 13 o o o 1 11 o + + 1 4 o + + 1 9 o o o 1 7 o o o 1 2 o + o 1 2 o o + 2 12 o o o 2 10 o o o 2 6 o o o 2 3 - o o 2 3 o o - 2 13 o o o 2 9 o o o 2 8 o o o 2 5 o o o 3 13 o o o 3 8 o o o 3 11 + o + 3 4 + o + 3 7 o o o 4 11 o o o 5 13 o o o 5 8 o o o 5 9 o o o 6 10 o o o 6 12 o o o 10 12 o o o 