data_[Cs4In4Hg4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/m]
_cell_length_a [14.0894]
_cell_length_b [5.1845]
_cell_length_c [13.2174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsInHgI2]
_chemical_formula_sum '[Cs4 In4 Hg4 I8]'
_cell_volume [965.2347]
_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
[
  Cs  Cs0  4  0.1345  0.5000  0.3572  1
  In  In1  4  0.1394  0.0000  0.8315  1
  Hg  Hg2  4  0.1681  0.5000  0.9733  1
  I  I3  4  0.0764  0.0000  0.1564  1
  I  I4  4  0.1451  0.5000  0.6502  1
]