data_[Ga2Ag1Hg2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.7176]
_cell_length_b [7.7176]
_cell_length_c [8.9314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ga2Ag(HgI3)2]
_chemical_formula_sum '[Ga2 Ag1 Hg2 I6]'
_cell_volume [460.6923]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3131  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.3333  0.6667  0.6061  1.0
  I  I3  6  0.0138  0.3296  0.2014  1.0
]