data_[In2Hg4I2]
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 [P2_1/m]
_cell_length_a [6.8645]
_cell_length_b [4.9567]
_cell_length_c [8.5388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InHg2I]
_chemical_formula_sum '[In2 Hg4 I2]'
_cell_volume [283.8242]
_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  2  0.2046  0.7500  0.3199  1.0
  Hg  Hg1  2  0.1018  0.7500  0.8757  1.0
  Hg  Hg2  2  0.4031  0.2500  0.0998  1.0
  I  I3  2  0.2718  0.2500  0.5801  1.0
]