data_[Zn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1301]
_cell_length_b [3.5701]
_cell_length_c [8.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZnHg2]
_chemical_formula_sum '[Zn4 Hg8]'
_cell_volume [272.2785]
_cell_formula_units_Z [4]
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
[
  Zn  Zn0  4  0.1968  0.0000  0.0922  1
  Hg  Hg1  4  0.0010  0.5000  0.2068  1
  Hg  Hg2  4  0.1621  0.0000  0.5831  1
]