data_[Ba8Hg4Sb8]
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 [13.2641]
_cell_length_b [4.8736]
_cell_length_c [13.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2HgSb2]
_chemical_formula_sum '[Ba8 Hg4 Sb8]'
_cell_volume [730.7386]
_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  0.0613  0.0000  0.8970  1
  Ba  Ba1  4  0.1564  0.5000  0.6583  1
  Hg  Hg2  4  0.1544  0.5000  0.3456  1
  Sb  Sb3  4  0.0859  0.0000  0.4183  1
  Sb  Sb4  4  0.1766  0.5000  0.1289  1
]