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 [14.8562]
_cell_length_b [8.7903]
_cell_length_c [11.8969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InAgHgI4]
_chemical_formula_sum '[In4 Ag4 Hg4 I16]'
_cell_volume [1389.5594]
_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  1.0
  Ag  Ag1  4  0.1473  0.0000  0.2631  1.0
  Hg  Hg2  4  0.0733  0.0000  0.8444  1.0
  I  I3  8  0.1842  0.2536  0.1449  1.0
  I  I4  4  0.0035  0.5000  0.3203  1.0
  I  I5  4  0.1453  0.0000  0.4973  1.0
]