data_[Pt2I2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4483]
_cell_length_b [6.1795]
_cell_length_c [6.2197]
_cell_angle_alpha [99.5989]
_cell_angle_beta [103.1566]
_cell_angle_gamma [101.3218]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PtIF3]
_chemical_formula_sum '[Pt2 I2 F6]'
_cell_volume [194.9739]
_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
[
  Pt  Pt0  1  0.1589  0.3089  0.6610  1
  Pt  Pt1  1  0.6902  0.8106  0.7104  1
  I  I2  1  0.0253  0.8022  0.0610  1
  I  I3  1  0.3346  0.2278  0.3076  1
  F  F4  1  0.4010  0.1745  0.8539  1
  F  F5  1  0.4142  0.6179  0.8144  1
  F  F6  1  0.4265  0.7339  0.4131  1
  F  F7  1  0.9111  0.4454  0.4779  1
  F  F8  1  0.9155  0.9944  0.5533  1
  F  F9  1  0.9791  0.3767  0.9114  1
]