data_[Mg2Zn2Hg4]
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 [C2/m]
_cell_length_a [9.2186]
_cell_length_b [3.6929]
_cell_length_c [5.1995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgZnHg2]
_chemical_formula_sum '[Mg2 Zn2 Hg4]'
_cell_volume [172.4560]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.2482  0.0000  0.2442  1.0
]