data_[Ba4Zn4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3630]
_cell_length_b [7.5525]
_cell_length_c [9.3960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaZnHg3]
_chemical_formula_sum '[Ba4 Zn4 Hg12]'
_cell_volume [570.4838]
_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
[
  Ba  Ba0  4  0.3301  0.0789  0.7765  1.0
  Zn  Zn1  4  0.0592  0.7349  0.3878  1.0
  Hg  Hg2  4  0.0768  0.1252  0.3985  1.0
  Hg  Hg3  4  0.2235  0.5152  0.6218  1.0
  Hg  Hg4  4  0.3899  0.6547  0.9398  1.0
]