data_[Hg1P1Cl1F6]
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 [P1]
_cell_length_a [4.5607]
_cell_length_b [5.4633]
_cell_length_c [6.0188]
_cell_angle_alpha [91.7179]
_cell_angle_beta [95.8984]
_cell_angle_gamma [100.2095]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgPClF6]
_chemical_formula_sum '[Hg1 P1 Cl1 F6]'
_cell_volume [146.6337]
_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  1  0.4846  0.2354  0.7459  1.0
  P  P1  1  0.5040  0.6650  0.3337  1.0
  Cl  Cl2  1  0.9852  0.1389  0.8717  1.0
  F  F3  1  0.2687  0.4050  0.3746  1.0
  F  F4  1  0.2762  0.7333  0.1336  1.0
  F  F5  1  0.3436  0.8101  0.5206  1.0
  F  F6  1  0.6622  0.5091  0.1600  1.0
  F  F7  1  0.7335  0.5868  0.5471  1.0
  F  F8  1  0.7421  0.9163  0.3129  1.0
]