data_[Hf6Zn2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3408]
_cell_length_b [5.4623]
_cell_length_c [7.4147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf3ZnHg]
_chemical_formula_sum '[Hf6 Zn2 Hg2]'
_cell_volume [207.5247]
_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  2  0.0000  0.0000  0.0000  1
  Hf  Hf1  2  0.1200  0.7500  0.4499  1
  Hf  Hf2  2  0.4469  0.2500  0.7193  1
  Zn  Zn3  2  0.2642  0.2500  0.3446  1
  Hg  Hg4  2  0.4197  0.7500  0.8745  1
]