data_[Hg6Ge2O4F12]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6090]
_cell_length_b [6.8899]
_cell_length_c [4.8791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg3Ge(OF3)2]
_chemical_formula_sum '[Hg6 Ge2 O4 F12]'
_cell_volume [401.8679]
_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
[
  Hg  Hg0  4  0.2500  0.2500  0.0000  1.0
  Hg  Hg1  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1703  0.5000  0.0754  1.0
  F  F4  8  0.0908  0.1919  0.4346  1.0
  F  F5  4  0.0857  0.0000  0.8841  1.0
]