data_[Ge1Pt1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  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 [4.7198]
_cell_length_b [5.4101]
_cell_length_c [5.5161]
_cell_angle_alpha [63.2760]
_cell_angle_beta [70.2361]
_cell_angle_gamma [89.8725]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GePtF6]
_chemical_formula_sum '[Ge1 Pt1 F6]'
_cell_volume [116.5017]
_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
[
  Ge  Ge0  1  0.0000  0.0000  0.0000  1.0
  Pt  Pt1  1  0.5000  0.5000  0.0000  1.0
  F  F2  2  0.0780  0.8487  0.3173  1.0
  F  F3  2  0.2956  0.8271  0.8242  1.0
  F  F4  2  0.3107  0.3216  0.8252  1.0
]