data_[Hg3Ge1S2F6]
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
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.5165]
_cell_length_b [7.5165]
_cell_length_c [5.0281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Hg3Ge(SF3)2]
_chemical_formula_sum '[Hg3 Ge1 S2 F6]'
_cell_volume [246.0141]
_cell_formula_units_Z [1]
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  0.5000  0.0000  1.0
  Ge  Ge1  1  0.0000  0.0000  0.5000  1.0
  S  S2  2  0.3333  0.6667  0.8008  1.0
  F  F3  6  0.1161  0.2323  0.7091  1.0
]