data_[Hg3S2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [4.0095]
_cell_length_b [20.5721]
_cell_length_c [6.4726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Hg3(SF)2]
_chemical_formula_sum '[Hg3 S2 F2]'
_cell_volume [529.2468]
_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  2  0.0188  0.0913  0.0822  1
  Hg  Hg1  1  0.1049  0.0000  0.7275  1
  S  S2  2  0.4479  0.0512  0.3438  1
  F  F3  2  0.6027  0.1354  0.9159  1
]