data_[Sn2Hg4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6186]
_cell_length_b [7.7055]
_cell_length_c [4.7881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnHg2F8]
_chemical_formula_sum '[Sn2 Hg4 F16]'
_cell_volume [337.8416]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg1  4  0.1554  0.5000  0.3549  1.0
  F  F2  8  0.1336  0.1800  0.2477  1.0
  F  F3  4  0.0886  0.5000  0.7939  1.0
  F  F4  4  0.1268  0.0000  0.7377  1.0
]