data_[In4Hg4I2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.7273]
_cell_length_b [9.9356]
_cell_length_c [8.7896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [In2Hg2ICl]
_chemical_formula_sum '[In4 Hg4 I2 Cl2]'
_cell_volume [412.8349]
_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  0.0000  0.1648  0.2371  1
  In  In1  2  0.5000  0.4185  0.7971  1
  Hg  Hg2  2  0.0000  0.1719  0.8482  1
  Hg  Hg3  2  0.5000  0.0770  0.5365  1
  I  I4  2  0.0000  0.4036  0.4852  1
  Cl  Cl5  2  0.5000  0.3069  0.1416  1
]