data_[In8Hg2I10]
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 [Pmmn]
_cell_length_a [9.2205]
_cell_length_b [11.2516]
_cell_length_c [8.1880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [In4HgI5]
_chemical_formula_sum '[In8 Hg2 I10]'
_cell_volume [849.4665]
_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  4  0.0000  0.2414  0.0077  1
  In  In1  4  0.2178  0.0000  0.5638  1
  Hg  Hg2  2  0.0000  0.0000  0.8690  1
  I  I3  8  0.2436  0.3101  0.7331  1
  I  I4  2  0.0000  0.5000  0.1595  1
]