data_[Hg6Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.9323]
_cell_length_b [11.1059]
_cell_length_c [8.4219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [HgGe]
_chemical_formula_sum '[Hg6 Ge6]'
_cell_volume [367.8000]
_cell_formula_units_Z [6]
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
[
  Hg  Hg0  4  0.0000  0.1648  0.3504  1
  Hg  Hg1  2  0.0000  0.5000  0.1902  1
  Ge  Ge2  4  0.0000  0.2787  0.0755  1
  Ge  Ge3  2  0.0000  0.0000  0.5758  1
]