data_[In2Ga4Hg8]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.1867]
_cell_length_b [6.1939]
_cell_length_c [9.7125]
_cell_angle_alpha [75.5854]
_cell_angle_beta [82.6480]
_cell_angle_gamma [78.5527]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In(GaHg2)2]
_chemical_formula_sum '[In2 Ga4 Hg8]'
_cell_volume [352.0806]
_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
[
  In  In0  1  0.3608  0.0942  0.1545  1.0
  In  In1  1  0.9671  0.7879  0.0388  1.0
  Ga  Ga2  1  0.0630  0.6776  0.6215  1.0
  Ga  Ga3  1  0.4290  0.5889  0.1405  1.0
  Ga  Ga4  1  0.6478  0.1699  0.5941  1.0
  Ga  Ga5  1  0.6570  0.5563  0.6990  1.0
  Hg  Hg6  1  0.0764  0.0877  0.7216  1.0
  Hg  Hg7  1  0.2559  0.3763  0.4275  1.0
  Hg  Hg8  1  0.2614  0.4349  0.8732  1.0
  Hg  Hg9  1  0.4647  0.8390  0.4580  1.0
  Hg  Hg10  1  0.5329  0.9056  0.8678  1.0
  Hg  Hg11  1  0.7954  0.3126  0.9980  1.0
  Hg  Hg12  1  0.7987  0.4691  0.3171  1.0
  Hg  Hg13  1  0.9399  0.9501  0.3384  1.0
]