data_[Ba6Hg4Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5990]
_cell_length_b [4.6147]
_cell_length_c [9.4836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(HgGe2)2]
_chemical_formula_sum '[Ba6 Hg4 Ge8]'
_cell_volume [547.6671]
_cell_formula_units_Z [2]
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  0.1643  0.5000  0.6682  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1131  0.5000  0.2770  1.0
  Ge  Ge3  4  0.0653  0.0000  0.4068  1.0
  Ge  Ge4  4  0.2021  0.5000  0.0250  1.0
]