data_[Ba3Mg2Zn2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9183]
_cell_length_b [4.9183]
_cell_length_c [16.7395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Mg2(ZnHg2)2]
_chemical_formula_sum '[Ba3 Mg2 Zn2 Hg4]'
_cell_volume [350.6722]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2670  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.3333  0.6667  0.4370  1.0
  Zn  Zn3  2  0.3333  0.6667  0.8648  1.0
  Hg  Hg4  2  0.3333  0.6667  0.1330  1.0
  Hg  Hg5  2  0.3333  0.6667  0.6075  1.0
]