data_[Mg4Zn4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ama2]
_cell_length_a [4.7198]
_cell_length_b [16.5155]
_cell_length_c [5.8819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [MgZnHg3]
_chemical_formula_sum '[Mg4 Zn4 Hg12]'
_cell_volume [458.4954]
_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
[
  Mg  Mg0  4  0.2500  0.1301  0.2244  1
  Zn  Zn1  4  0.2500  0.4578  0.9856  1
  Hg  Hg2  4  0.2500  0.1205  0.7079  1
  Hg  Hg3  4  0.2500  0.2805  0.9584  1
  Hg  Hg4  4  0.2500  0.4344  0.5029  1
]