data_K2HfHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   3.18
_cell_angle_alpha   100.76
_cell_angle_beta   100.76
_cell_angle_gamma   126.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfHg
_chemical_formula_sum   'K2 Hf1 Hg1'
_cell_volume   123.02
_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  0.99  0.77  0.45  1.0
  K  K3  1  0.99  0.23  0.45  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.28  0.0  0.0  1.0

data_K2HfHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   6.01
_cell_length_c   7.25
_cell_angle_alpha   113.39
_cell_angle_beta   100.76
_cell_angle_gamma   94.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2HfHg
_chemical_formula_sum   'K2 Hf1 Hg1'
_cell_volume   123.02
_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  0.22  0.77  0.76  1.0
  K  K1  1  0.68  0.23  0.22  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  -0.0  0.0  0.28  1.0

K K Hf Hg