data_[Ba6Hg45Bi6]
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 [R-3m]
_cell_length_a [10.0430]
_cell_length_b [10.0430]
_cell_length_c [19.7237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Hg15Bi2]
_chemical_formula_sum '[Ba6 Hg45 Bi6]'
_cell_volume [1722.8563]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3041  1.0
  Hg  Hg1  18  0.0000  0.2929  0.0000  1.0
  Hg  Hg2  18  0.0623  0.5312  0.1176  1.0
  Hg  Hg3  9  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  6  0.0000  0.0000  0.1146  1.0
]