data_[In2Ga2Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [P-1]
_cell_length_a [7.7641]
_cell_length_b [8.8023]
_cell_length_c [8.9662]
_cell_angle_alpha [69.1553]
_cell_angle_beta [65.7783]
_cell_angle_gamma [80.1044]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2Ga2HgI6]
_chemical_formula_sum '[In2 Ga2 Hg1 I6]'
_cell_volume [522.0039]
_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
[
  In  In0  2  0.2593  0.2131  0.4760  1
  Ga  Ga1  2  0.1204  0.8996  0.9512  1
  Hg  Hg2  1  0.5000  0.5000  0.5000  1
  I  I3  2  0.0795  0.8245  0.7066  1
  I  I4  2  0.1320  0.6431  0.2096  1
  I  I5  2  0.4587  0.0315  0.7753  1
]