data_[Cs2Ba2Hg4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.6340]
_cell_length_b [6.6340]
_cell_length_c [10.3135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CsBaHg2F8]
_chemical_formula_sum '[Cs2 Ba2 Hg4 F16]'
_cell_volume [453.9011]
_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  0.0000  1.0
  Ba  Ba1  2  0.0000  0.5000  0.2500  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.7500  1.0
  F  F4  8  0.0029  0.6814  0.4901  1.0
  F  F5  8  0.1536  0.8004  0.7557  1.0
]