data_[In6Ga2Hg8]
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 [Imm2]
_cell_length_a [6.3785]
_cell_length_b [10.5623]
_cell_length_c [6.3253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [In3GaHg4]
_chemical_formula_sum '[In6 Ga2 Hg8]'
_cell_volume [426.1458]
_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  4  0.0000  0.2836  0.5840  1.0
  In  In1  2  0.0000  0.0000  0.8218  1.0
  Ga  Ga2  2  0.0000  0.5000  0.2731  1.0
  Hg  Hg3  4  0.0000  0.2428  0.0901  1.0
  Hg  Hg4  4  0.2442  0.0000  0.3539  1.0
]