data_[In8Hg8]
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 [P2_12_12_1]
_cell_length_a [6.6625]
_cell_length_b [8.0833]
_cell_length_c [8.4287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [InHg]
_chemical_formula_sum '[In8 Hg8]'
_cell_volume [453.9290]
_cell_formula_units_Z [8]
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  0.1594  0.7064  0.0582  1.0
  In  In1  4  0.1940  0.9326  0.3947  1.0
  Hg  Hg2  4  0.0769  0.7670  0.7085  1.0
  Hg  Hg3  4  0.0845  0.5458  0.3836  1.0
]