data_[Zn2Hg10]
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 [P6mm]
_cell_length_a [8.6435]
_cell_length_b [8.6435]
_cell_length_c [18.6674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [ZnHg5]
_chemical_formula_sum '[Zn2 Hg10]'
_cell_volume [1207.8043]
_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
[
  Zn  Zn0  2  0.3333  0.6667  0.4550  1
  Hg  Hg1  6  0.2078  0.4156  0.5772  1
  Hg  Hg2  3  0.0000  0.5000  0.3807  1
  Hg  Hg3  1  0.0000  0.0000  0.4849  1
]