data_KHf2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   7.38
_cell_angle_alpha   98.2
_cell_angle_beta   98.2
_cell_angle_gamma   33.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Hg
_chemical_formula_sum   'K1 Hf2 Hg1'
_cell_volume   120.83
_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  K3  1  0.67  0.0  0.98  1.0
  Hf  Hf0  1  0.22  0.0  0.44  1.0
  Hf  Hf1  1  0.68  0.0  0.73  1.0
  Hg  Hg2  1  0.86  0.0  0.08  1.0

data_KHf2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.47
_cell_length_c   7.38
_cell_angle_alpha   98.2
_cell_angle_beta   90.0
_cell_angle_gamma   106.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Hg
_chemical_formula_sum   'K1 Hf2 Hg1'
_cell_volume   120.83
_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  0.33  0.02  1.0
  Hf  Hf1  1  0.0  0.32  0.27  1.0
  Hf  Hf2  1  0.0  0.78  0.56  1.0
  Hg  Hg3  1  0.0  0.14  0.92  1.0

K Hf Hf Hg