data_[Cs2Hg4Sb2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5748]
_cell_length_b [8.6371]
_cell_length_c [11.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHg2SbI8]
_chemical_formula_sum '[Cs2 Hg4 Sb2 I16]'
_cell_volume [1201.0977]
_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  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.1485  0.5000  0.7894  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0203  0.2461  0.1984  1.0
  I  I4  4  0.1848  0.5000  0.5527  1.0
  I  I5  4  0.2427  0.0000  0.9809  1.0
]