data_KHfHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   7.32
_cell_angle_alpha   154.81
_cell_angle_beta   144.04
_cell_angle_gamma   44.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfHg
_chemical_formula_sum   'K1 Hf1 Hg1'
_cell_volume   97.82
_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  0.43  1.0
  Hf  Hf0  1  0.0  0.0  0.73  1.0
  Hg  Hg1  1  0.0  0.0  0.39  1.0

data_KHfHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.52
_cell_length_c   7.32
_cell_angle_alpha   107.98
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfHg
_chemical_formula_sum   'K1 Hf1 Hg1'
_cell_volume   97.82
_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  0.57  0.57  0.57  1.0
  Hf  Hf1  1  0.27  0.27  0.27  1.0
  Hg  Hg2  1  0.61  0.61  0.61  1.0

K Hf Hg
K Hf Hg 0 2 o o o 0 1 o o o 1 2 o o o 