data_Hf2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   8.14
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Hg
_chemical_formula_sum   'Hf4 Hg2'
_cell_volume   133.2
_cell_formula_units_Z   2
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
  Hf  Hf0  1  0.59  0.05  0.31  1.0
  Hf  Hf1  1  0.59  0.95  0.93  1.0
  Hf  Hf2  1  0.59  0.35  0.93  1.0
  Hf  Hf3  1  0.59  0.65  0.31  1.0
  Hg  Hg4  1  0.59  0.4  0.31  1.0
  Hg  Hg5  1  0.59  0.6  0.93  1.0

data_Hf2Hg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.18
_cell_length_b   5.24
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hf2Hg
_chemical_formula_sum   'Hf4 Hg2'
_cell_volume   133.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Hf  Hf0  2  0.05  0.31  0.05  1.0
  Hf  Hf1  2  0.35  0.69  0.35  1.0
  Hg  Hg2  2  0.4  0.31  0.4  1.0

Hf Hf Hf Hf Hg Hg