data_[In2Hg2I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4776]
_cell_length_b [7.6888]
_cell_length_c [7.8014]
_cell_angle_alpha [61.0422]
_cell_angle_beta [72.5584]
_cell_angle_gamma [81.2082]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InHgI2]
_chemical_formula_sum '[In2 Hg2 I4]'
_cell_volume [374.3949]
_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  0.1930  0.3490  0.2560  1.0
  In  In1  1  0.7561  0.9880  0.0691  1.0
  Hg  Hg2  1  0.3801  0.6238  0.7825  1.0
  Hg  Hg3  1  0.3865  0.3429  0.5735  1.0
  I  I4  1  0.3717  0.9495  0.1512  1.0
  I  I5  1  0.8240  0.3382  0.0554  1.0
  I  I6  1  0.8640  0.6629  0.3898  1.0
  I  I7  1  0.9229  0.9805  0.7058  1.0
]