data_[Ga4Hg20I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [11.6535]
_cell_length_b [7.2088]
_cell_length_c [11.2312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [GaHg5I]
_chemical_formula_sum '[Ga4 Hg20 I4]'
_cell_volume [824.6553]
_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
[
  Ga  Ga0  4  0.0000  0.0000  0.0000  1
  Hg  Hg1  8  0.1794  0.2991  0.0851  1
  Hg  Hg2  8  0.1945  0.2805  0.6017  1
  Hg  Hg3  4  0.0000  0.0018  0.2500  1
  I  I4  4  0.0000  0.4979  0.7500  1
]