data_[Ba2Ag2Hg28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [10.0227]
_cell_length_b [10.2343]
_cell_length_c [10.2771]
_cell_angle_alpha [70.9912]
_cell_angle_beta [71.0933]
_cell_angle_gamma [66.5544]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAgHg14]
_chemical_formula_sum '[Ba2 Ag2 Hg28]'
_cell_volume [891.1294]
_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  2  0.2852  0.2851  0.6197  1
  Ag  Ag1  1  0.0000  0.0000  0.5000  1
  Ag  Ag2  1  0.5000  0.5000  0.0000  1
  Hg  Hg3  2  0.0198  0.5332  0.1280  1
  Hg  Hg4  2  0.0467  0.0639  0.7299  1
  Hg  Hg5  2  0.1054  0.5925  0.3688  1
  Hg  Hg6  2  0.1137  0.1144  0.9785  1
  Hg  Hg7  2  0.1543  0.6641  0.6178  1
  Hg  Hg8  2  0.1589  0.1617  0.2463  1
  Hg  Hg9  2  0.2235  0.7047  0.8774  1
  Hg  Hg10  2  0.2985  0.7718  0.1118  1
  Hg  Hg11  2  0.3252  0.3318  0.9393  1
  Hg  Hg12  2  0.3314  0.8437  0.3721  1
  Hg  Hg13  2  0.3518  0.3310  0.2462  1
  Hg  Hg14  2  0.3897  0.9083  0.6198  1
  Hg  Hg15  2  0.4667  0.9811  0.8705  1
  Hg  Hg16  2  0.4998  0.4987  0.6598  1
]