data_[Hg1As1Cl1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5966]
_cell_length_b [5.6266]
_cell_length_c [6.1345]
_cell_angle_alpha [91.7484]
_cell_angle_beta [96.7857]
_cell_angle_gamma [100.5922]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgAsClF6]
_chemical_formula_sum '[Hg1 As1 Cl1 F6]'
_cell_volume [154.6386]
_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  0.4852  0.2414  0.7519  1.0
  As  As1  1  0.5042  0.6647  0.3337  1.0
  Cl  Cl2  1  0.9851  0.1398  0.8667  1.0
  F  F3  1  0.2482  0.3967  0.3864  1.0
  F  F4  1  0.2614  0.7300  0.1112  1.0
  F  F5  1  0.3398  0.8311  0.5236  1.0
  F  F6  1  0.6647  0.4852  0.1555  1.0
  F  F7  1  0.7448  0.5866  0.5664  1.0
  F  F8  1  0.7666  0.9247  0.3048  1.0
]