data_[Hg6Ge3F18]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.9996]
_cell_length_b [5.9996]
_cell_length_c [18.3923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hg2GeF6]
_chemical_formula_sum '[Hg6 Ge3 F18]'
_cell_volume [573.3311]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5257  1
  Hg  Hg1  3  0.0000  0.0000  0.6664  1
  Ge  Ge2  3  0.0000  0.0000  0.3466  1
  F  F3  9  0.0497  0.5249  0.0795  1
  F  F4  9  0.1866  0.3733  0.9628  1
]