data_[Ba16Hg24Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.7609]
_cell_length_b [10.3957]
_cell_length_c [17.7816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Hg3Sb]
_chemical_formula_sum '[Ba16 Hg24 Sb8]'
_cell_volume [1619.4706]
_cell_formula_units_Z [8]
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  8  0.2435  0.0000  0.0000  1
  Ba  Ba1  8  0.2500  0.2500  0.2500  1
  Hg  Hg2  16  0.0000  0.2487  0.0818  1
  Hg  Hg3  8  0.0000  0.0000  0.1655  1
  Sb  Sb4  8  0.0000  0.0000  0.3349  1
]