data_K2CoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CoHg
_chemical_formula_sum   'K2 Co1 Hg1'
_cell_volume   124.64
_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  0.73  1.0
  K  K3  1  0.82  0.82  0.96  1.0
  Co  Co0  1  0.0  0.0  0.43  1.0
  Hg  Hg1  1  0.82  0.82  0.32  1.0

data_K2CoHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2CoHg
_chemical_formula_sum   'K4 Co2 Hg2'
_cell_volume   249.27
_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  0.73  1.0
  K  K1  2  0.32  0.5  0.96  1.0
  Co  Co2  2  0.0  0.0  0.43  1.0
  Hg  Hg3  2  0.32  0.5  0.32  1.0

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