data_[Cs8Na4Hg4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8306]
_cell_length_b [23.1977]
_cell_length_c [15.8434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2NaHgI5]
_chemical_formula_sum '[Cs8 Na4 Hg4 I20]'
_cell_volume [1775.3855]
_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  0.0000  0.1291  0.3238  1.0
  Cs  Cs1  4  0.0000  0.1364  0.6893  1.0
  Na  Na2  4  0.0000  0.2115  0.0371  1.0
  Hg  Hg3  4  0.0000  0.4352  0.4231  1.0
  I  I4  4  0.0000  0.0413  0.0229  1.0
  I  I5  4  0.0000  0.3018  0.6646  1.0
  I  I6  4  0.0000  0.3148  0.3869  1.0
  I  I7  4  0.0000  0.3442  0.0068  1.0
  I  I8  4  0.0000  0.4953  0.2694  1.0
]