data_[Na4Zn4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [16.3570]
_cell_length_b [7.3021]
_cell_length_c [5.2646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaZnHg4]
_chemical_formula_sum '[Na4 Zn4 Hg16]'
_cell_volume [607.1706]
_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
[
  Na  Na0  4  0.1885  0.0000  0.2176  1
  Zn  Zn1  4  0.0374  0.5000  0.3125  1
  Hg  Hg2  8  0.1355  0.2385  0.6696  1
  Hg  Hg3  4  0.0000  0.1947  0.0000  1
  Hg  Hg4  4  0.1957  0.5000  0.1832  1
]