data_[Cs2K2Hg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2969]
_cell_length_b [8.5002]
_cell_length_c [10.4742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsKHgI4]
_chemical_formula_sum '[Cs2 K2 Hg2 I8]'
_cell_volume [702.9912]
_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  0.2455  0.2500  0.0596  1.0
  K  K1  2  0.2312  0.2500  0.5583  1.0
  Hg  Hg2  2  0.2202  0.7500  0.3166  1.0
  I  I3  4  0.0106  0.5094  0.7358  1.0
  I  I4  2  0.4104  0.7500  0.1324  1.0
  I  I5  2  0.4297  0.7500  0.5846  1.0
]