data_[In2Hg6S4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8972]
_cell_length_b [6.9121]
_cell_length_c [5.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InHg3(SF3)2]
_chemical_formula_sum '[In2 Hg6 S4 F12]'
_cell_volume [449.2416]
_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
[
  In  In0  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  4  0.2500  0.2500  0.0000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  S  S3  4  0.1677  0.5000  0.2490  1.0
  F  F4  8  0.0607  0.2298  0.7466  1.0
  F  F5  4  0.1425  0.0000  0.3134  1.0
]