data_[Ba4Ga8Hg4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0045]
_cell_length_b [12.8520]
_cell_length_c [10.7283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaGa2HgCl6]
_chemical_formula_sum '[Ba4 Ga8 Hg4 Cl24]'
_cell_volume [1435.4111]
_cell_formula_units_Z [4]
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  0.0000  0.4905  0.2500  1.0
  Ga  Ga1  8  0.2113  0.1696  0.2564  1.0
  Hg  Hg2  4  0.0000  0.1322  0.2500  1.0
  Cl  Cl3  8  0.0872  0.3783  0.5526  1.0
  Cl  Cl4  8  0.2359  0.3473  0.2814  1.0
  Cl  Cl5  8  0.2460  0.1215  0.0751  1.0
]