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 [Cmc2_1]
_cell_length_a [4.9502]
_cell_length_b [18.5173]
_cell_length_c [8.5273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2HgSb2]
_chemical_formula_sum '[Ba8 Hg4 Sb8]'
_cell_volume [781.6391]
_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  0.0000  0.0292  0.7313  1.0
  Ba  Ba1  4  0.0000  0.2065  0.3927  1.0
  Hg  Hg2  4  0.0000  0.4091  0.5761  1.0
  Sb  Sb3  4  0.0000  0.1693  0.9948  1.0
  Sb  Sb4  4  0.0000  0.4335  0.9396  1.0
]