data_[Hg2Cl2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [3.9063]
_cell_length_b [21.0482]
_cell_length_c [5.4044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [HgClF]
_chemical_formula_sum '[Hg2 Cl2 F2]'
_cell_volume [391.8685]
_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
[
  Hg  Hg0  2  0.4286  0.4239  0.4750  1
  Cl  Cl1  2  0.1775  0.3563  0.6901  1
  F  F2  2  0.6526  0.4732  0.2496  1
]