data_K2CuHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   134.01
_cell_angle_beta   134.01
_cell_angle_gamma   67.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuHg
_chemical_formula_sum   'K2 Cu1 Hg1'
_cell_volume   134.35
_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
  K  K3  1  0.51  0.0  0.67  1.0
  Cu  Cu0  1  0.0  0.0  0.35  1.0
  Hg  Hg1  1  0.0  0.51  0.67  1.0

data_K2CuHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.42
_cell_angle_alpha   112.99
_cell_angle_beta   112.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuHg
_chemical_formula_sum   'K2 Cu1 Hg1'
_cell_volume   134.35
_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
  K  K1  1  0.33  0.0  0.83  1.0
  Cu  Cu2  1  0.65  0.0  0.65  1.0
  Hg  Hg3  1  0.83  0.51  0.83  1.0

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