data_[Mg4Hg4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9383]
_cell_length_b [17.1021]
_cell_length_c [6.2970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgHgCl4]
_chemical_formula_sum '[Mg4 Hg4 Cl16]'
_cell_volume [669.6306]
_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  0.0000  0.1969  0.2500  1.0
  Hg  Hg1  4  0.0000  0.3871  0.7500  1.0
  Cl  Cl2  8  0.1985  0.9203  0.7298  1.0
  Cl  Cl3  8  0.2294  0.2956  0.2460  1.0
]