data_[Hg3Pt1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6850]
_cell_length_b [5.8285]
_cell_length_c [6.3384]
_cell_angle_alpha [92.1575]
_cell_angle_beta [98.0287]
_cell_angle_gamma [101.6999]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3PtF6]
_chemical_formula_sum '[Hg3 Pt1 F6]'
_cell_volume [203.1726]
_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  0.0000  0.5000  0.5000  1
  Hg  Hg1  1  0.5000  0.0000  0.0000  1
  Hg  Hg2  1  0.5000  0.5000  0.0000  1
  Pt  Pt3  1  0.0000  0.0000  0.0000  1
  F  F4  2  0.0510  0.1522  0.7305  1
  F  F5  2  0.1113  0.3170  0.1535  1
  F  F6  2  0.3485  0.6446  0.6553  1
]