data_[In4Ag4Hg4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8514]
_cell_length_b [8.7626]
_cell_length_c [11.8786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InAgHgI4]
_chemical_formula_sum '[In4 Ag4 Hg4 I16]'
_cell_volume [1379.7700]
_cell_formula_units_Z [4]
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  0.1700  0.5000  0.2861  1
  Ag  Ag1  4  0.1473  0.0000  0.2632  1
  Hg  Hg2  4  0.0734  0.0000  0.8445  1
  I  I3  8  0.1843  0.2533  0.1442  1
  I  I4  4  0.0029  0.5000  0.3202  1
  I  I5  4  0.1448  0.0000  0.4971  1
]