data_[Ba6Hg2Cl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5381]
_cell_length_b [8.1014]
_cell_length_c [5.1519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Hg(ClF3)2]
_chemical_formula_sum '[Ba6 Hg2 Cl4 F12]'
_cell_volume [602.1610]
_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
[
  Ba  Ba0  4  0.2500  0.2500  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.2075  0.5000  0.9242  1
  F  F4  8  0.0754  0.2666  0.3112  1
  F  F5  4  0.1448  0.0000  0.6321  1
]