data_[Ga4Hg2Ge2I16]
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
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5826]
_cell_length_b [8.4046]
_cell_length_c [10.5296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2HgGeI8]
_chemical_formula_sum '[Ga4 Hg2 Ge2 I16]'
_cell_volume [1253.8195]
_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
[
  Ga  Ga0  4  0.1816  0.5000  0.0825  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.1164  0.2496  0.1867  1.0
  I  I4  4  0.1342  0.0000  0.8129  1.0
  I  I5  4  0.1374  0.5000  0.8370  1.0
]