data_[Si2Hg6Se4F12]
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
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4022]
_cell_length_b [6.8517]
_cell_length_c [5.2010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiHg3(SeF3)2]
_chemical_formula_sum '[Si2 Hg6 Se4 F12]'
_cell_volume [461.8597]
_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
[
  Si  Si0  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.2500  0.2500  0.5000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  Se  Se3  4  0.1952  0.5000  0.1314  1.0
  F  F4  8  0.0711  0.1798  0.6967  1.0
  F  F5  4  0.0870  0.0000  0.3057  1.0
]