data_KSnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSnHg2
_chemical_formula_sum   'K1 Sn1 Hg2'
_cell_volume   121.59
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.36  1.0
  Hg  Hg0  1  0.87  0.87  0.31  1.0
  Hg  Hg1  1  0.87  0.87  0.41  1.0

data_KSnHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSnHg2
_chemical_formula_sum   'K2 Sn2 Hg4'
_cell_volume   243.18
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.36  1.0
  Hg  Hg2  2  0.37  0.5  0.31  1.0
  Hg  Hg3  2  0.37  0.5  0.41  1.0

K Sn Hg Hg
K Sn Hg Hg 0 3 - - o 0 2 - - o 0 1 o o o 1 2 - - o 1 3 - - o 2 3 o o o 