data_[Ba8Hg8Sb4]
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 [C2/m]
_cell_length_a [13.2778]
_cell_length_b [4.8795]
_cell_length_c [13.3876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Hg2Sb]
_chemical_formula_sum '[Ba8 Hg8 Sb4]'
_cell_volume [762.6140]
_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  0.0873  0.0000  0.8939  1.0
  Ba  Ba1  4  0.2003  0.5000  0.6255  1.0
  Hg  Hg2  4  0.0109  0.0000  0.6153  1.0
  Hg  Hg3  4  0.1457  0.5000  0.1163  1.0
  Sb  Sb4  4  0.0847  0.5000  0.3151  1.0
]