data_[In16Ga10Hg2]
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 [I-4]
_cell_length_a [10.7802]
_cell_length_b [10.7802]
_cell_length_c [5.9799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [In8Ga5Hg]
_chemical_formula_sum '[In16 Ga10 Hg2]'
_cell_volume [694.9318]
_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  8  0.0006  0.2970  0.6702  1
  In  In1  8  0.1719  0.2695  0.2146  1
  Ga  Ga2  8  0.0643  0.8681  0.1383  1
  Ga  Ga3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  2  0.0000  0.5000  0.2500  1
]