data_[In8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7860]
_cell_length_b [3.5512]
_cell_length_c [8.0407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2Hg]
_chemical_formula_sum '[In8 Hg4]'
_cell_volume [321.1749]
_cell_formula_units_Z [4]
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  0.1434  0.5000  0.5357  1.0
  In  In1  4  0.1796  0.5000  0.1233  1.0
  Hg  Hg2  4  0.0279  0.0000  0.7904  1.0
]