data_[Ag2S2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9028]
_cell_length_b [7.8088]
_cell_length_c [4.8389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgSF6]
_chemical_formula_sum '[Ag2 S2 F12]'
_cell_volume [219.7196]
_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
[
  Ag  Ag0  2  0.0000  0.0000  0.0000  1
  S  S1  2  0.0000  0.5000  0.5000  1
  F  F2  8  0.1185  0.3442  0.7387  1
  F  F3  4  0.2480  0.0000  0.6433  1
]