data_[Si4Hg8F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [5.5271]
_cell_length_b [11.1562]
_cell_length_c [10.6657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [SiHg2F5]
_chemical_formula_sum '[Si4 Hg8 F20]'
_cell_volume [657.6564]
_cell_formula_units_Z [4]
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
[
  Si  Si0  4  0.0000  0.0000  0.9753  1.0
  Hg  Hg1  8  0.2500  0.2500  0.2074  1.0
  F  F2  8  0.0000  0.1528  0.9717  1.0
  F  F3  8  0.2464  0.0000  0.0600  1.0
  F  F4  4  0.0000  0.0000  0.8212  1.0
]