data_[Zn8Hg4]
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 [13.2181]
_cell_length_b [3.0114]
_cell_length_c [6.5911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn2Hg]
_chemical_formula_sum '[Zn8 Hg4]'
_cell_volume [234.6154]
_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  0.1614  0.5000  0.8510  1.0
  Zn  Zn1  4  0.2266  0.5000  0.3111  1.0
  Hg  Hg2  4  0.0369  0.0000  0.2815  1.0
]