data_[Hg8Se4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [9.0175]
_cell_length_b [7.3474]
_cell_length_c [7.5012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg2SeF2]
_chemical_formula_sum '[Hg8 Se4 F8]'
_cell_volume [496.7005]
_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
[
  Hg  Hg0  4  0.1578  0.5838  0.8818  1.0
  Hg  Hg1  4  0.4977  0.1633  0.2931  1.0
  Se  Se2  4  0.3278  0.5696  0.6247  1.0
  F  F3  4  0.0290  0.6560  0.1052  1.0
  F  F4  4  0.3558  0.0960  0.5599  1.0
]