data_[Ba16Hg24Bi8]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.6595]
_cell_length_b [10.5921]
_cell_length_c [18.1224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Hg3Bi]
_chemical_formula_sum '[Ba16 Hg24 Bi8]'
_cell_volume [1662.2289]
_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  0.2441  0.0000  0.0000  1
  Ba  Ba1  8  0.2500  0.2500  0.2500  1
  Hg  Hg2  16  0.0000  0.2457  0.0808  1
  Hg  Hg3  8  0.0000  0.0000  0.1635  1
  Bi  Bi4  8  0.0000  0.0000  0.3349  1
]