data_K5Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.51
_cell_length_b   10.51
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5Hg3
_chemical_formula_sum   'K10 Hg6'
_cell_volume   719.41
_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  K6  1  0.25  0.03  0.76  1.0
  K  K7  1  0.0  0.07  0.0  1.0
  K  K8  1  0.0  0.07  0.76  1.0
  K  K9  1  0.25  0.03  0.0  1.0
  K  K10  1  0.09  0.77  0.64  1.0
  K  K11  1  0.65  0.33  0.88  1.0
  K  K12  1  0.35  0.33  0.64  1.0
  K  K13  1  0.82  0.0  0.64  1.0
  K  K14  1  0.69  0.0  0.88  1.0
  K  K15  1  0.91  0.77  0.88  1.0
  Hg  Hg0  1  0.91  0.62  0.64  1.0
  Hg  Hg1  1  0.84  0.48  0.88  1.0
  Hg  Hg2  1  0.16  0.48  0.64  1.0
  Hg  Hg3  1  0.18  0.0  0.64  1.0
  Hg  Hg4  1  0.33  0.0  0.88  1.0
  Hg  Hg5  1  0.09  0.62  0.88  1.0

data_K5Hg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.52
_cell_length_b   10.51
_cell_length_c   10.51
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5Hg3
_chemical_formula_sum   'K10 Hg6'
_cell_volume   719.41
_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  K0  1  -0.0  0.25  0.03  1.0
  K  K1  1  -0.0  -0.0  0.07  1.0
  K  K2  1  0.64  0.09  0.77  1.0
  K  K3  1  0.64  0.35  0.33  1.0
  K  K4  1  0.64  0.82  0.0  1.0
  K  K5  1  0.76  -0.0  0.07  1.0
  K  K6  1  0.76  0.25  0.03  1.0
  K  K7  1  0.88  0.65  0.33  1.0
  K  K8  1  0.88  0.69  0.0  1.0
  K  K9  1  0.88  0.91  0.77  1.0
  Hg  Hg10  1  0.64  0.16  0.48  1.0
  Hg  Hg11  1  0.64  0.18  0.0  1.0
  Hg  Hg12  1  0.64  0.91  0.62  1.0
  Hg  Hg13  1  0.88  0.09  0.62  1.0
  Hg  Hg14  1  0.88  0.33  0.0  1.0
  Hg  Hg15  1  0.88  0.84  0.48  1.0

K K K K K K K K K K Hg Hg Hg Hg Hg Hg
K K K K K K K K K K Hg Hg Hg Hg Hg Hg 0 13 o o o 0 14 o o o 0 6 o o o 1 2 o o - 1 9 - - - 2 7 - o o 2 6 o o o 2 9 - - o 3 14 o o - 4 10 - o o 4 13 o + o 4 9 - o o 4 15 o o o 5 11 o o o 6 13 o o o 6 12 o o o 7 8 o o o 9 10 o o o 9 15 + o o 9 11 o o o 10 15 + o o 11 15 + o o 12 15 o o o 