data_[Cr2Hg4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [16.3610]
_cell_length_b [7.8634]
_cell_length_c [7.2566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr(HgI4)2]
_chemical_formula_sum '[Cr2 Hg4 I16]'
_cell_volume [929.7039]
_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
[
  Cr  Cr0  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  4  0.1641  0.0000  0.6204  1.0
  I  I2  8  0.0602  0.2468  0.7818  1.0
  I  I3  4  0.1492  0.0000  0.2119  1.0
  I  I4  4  0.1693  0.5000  0.3035  1.0
]