data_[Cs4K2Hg4Br14]
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 [I4/mmm]
_cell_length_a [5.7048]
_cell_length_b [5.7048]
_cell_length_c [28.6877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs2KHg2Br7]
_chemical_formula_sum '[Cs4 K2 Hg4 Br14]'
_cell_volume [933.6413]
_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  0.0000  0.1760  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.0000  0.4008  1.0
  Br  Br3  8  0.0000  0.5000  0.0899  1.0
  Br  Br4  4  0.0000  0.0000  0.3050  1.0
  Br  Br5  2  0.0000  0.0000  0.5000  1.0
]