data_[Hg16P4Cl8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.5528]
_cell_length_b [8.9839]
_cell_length_c [10.4440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Hg4PCl2F]
_chemical_formula_sum '[Hg16 P4 Cl8 F4]'
_cell_volume [802.4870]
_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  8  0.0000  0.0637  0.7296  1
  Hg  Hg1  8  0.2450  0.2500  0.5009  1
  P  P2  4  0.2500  0.2500  0.7500  1
  Cl  Cl3  4  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.2500  0.2500  0.2500  1
  F  F5  4  0.0000  0.0000  0.5000  1
]