data_K2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   6.61
_cell_length_c   6.61
_cell_angle_alpha   42.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgAu
_chemical_formula_sum   'K2 Hg1 Au1'
_cell_volume   147.34
_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  0.2  1.0
  K  K3  1  0.49  0.0  0.97  1.0
  Hg  Hg1  1  0.49  0.0  0.38  1.0
  Au  Au0  1  0.0  0.0  0.81  1.0

data_K2HgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.8
_cell_length_b   4.98
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   111.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HgAu
_chemical_formula_sum   'K2 Hg1 Au1'
_cell_volume   147.34
_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  0.03  0.49  0.03  1.0
  K  K1  1  0.8  0.0  0.8  1.0
  Hg  Hg2  1  0.62  0.49  0.62  1.0
  Au  Au3  1  0.19  0.0  0.19  1.0

K K Hg Au
K K Hg Au 0 1 - o - 0 1 o o - 0 2 - o o 0 2 o o o 0 3 o o - 1 3 o o o 1 3 + o o 1 2 o o + 