data_[Cs4Al2Hg2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [8.6654]
_cell_length_b [8.6654]
_cell_length_c [11.0747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2AlHgI5]
_chemical_formula_sum '[Cs4 Al2 Hg2 I10]'
_cell_volume [831.5962]
_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
[
  Cs  Cs0  4  0.0000  0.5000  0.2504  1.0
  Al  Al1  2  0.0000  0.0000  0.9555  1.0
  Hg  Hg2  2  0.0000  0.0000  0.3021  1.0
  I  I3  8  0.2195  0.2195  0.0050  1.0
  I  I4  2  0.0000  0.0000  0.7217  1.0
]