data_[Mg4Hg8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4975]
_cell_length_b [16.0246]
_cell_length_c [7.6454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg(HgI3)2]
_chemical_formula_sum '[Mg4 Hg8 I24]'
_cell_volume [1742.3445]
_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  0.1970  0.7500  1.0
  Hg  Hg1  8  0.2105  0.4167  0.8855  1.0
  I  I2  8  0.0984  0.0996  0.0680  1.0
  I  I3  8  0.1178  0.2831  0.6249  1.0
  I  I4  8  0.1523  0.4236  0.1883  1.0
]