data_[In4Hg2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8081]
_cell_length_b [9.0246]
_cell_length_c [11.4191]
_cell_angle_alpha [101.9529]
_cell_angle_beta [90.8199]
_cell_angle_gamma [102.0225]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In2HgCl3]
_chemical_formula_sum '[In4 Hg2 Cl6]'
_cell_volume [374.8248]
_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  0.3763  0.7380  0.1101  1
  In  In1  2  0.3941  0.8078  0.7170  1
  Hg  Hg2  2  0.0865  0.1626  0.0742  1
  Cl  Cl3  2  0.1640  0.2992  0.4333  1
  Cl  Cl4  2  0.2148  0.4530  0.8371  1
  Cl  Cl5  2  0.4729  0.9147  0.3266  1
]