data_KSnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   4.09
_cell_length_c   8.37
_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   120.68
_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  0.18  1.0
  Hg  Hg0  1  0.76  0.05  0.01  1.0
  Hg  Hg1  1  0.76  0.05  0.36  1.0

data_KSnHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.09
_cell_length_c   8.37
_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   120.68
_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  K0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.18  1.0
  Hg  Hg2  1  0.76  0.05  0.01  1.0
  Hg  Hg3  1  0.76  0.05  0.36  1.0

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