data_[Cs2K4Hg2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5136]
_cell_length_b [8.0369]
_cell_length_c [15.8830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsK2HgBr5]
_chemical_formula_sum '[Cs2 K4 Hg2 Br10]'
_cell_volume [703.8128]
_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  0.5000  0.0000  1
  K  K1  4  0.0000  0.0000  0.2045  1
  Hg  Hg2  2  0.0000  0.5000  0.5000  1
  Br  Br3  8  0.0000  0.2548  0.3682  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]