data_[Ag6As2I4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3638]
_cell_length_b [7.3656]
_cell_length_c [5.0900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3As(IF3)2]
_chemical_formula_sum '[Ag6 As2 I4 F12]'
_cell_volume [533.6345]
_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  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag1  2  0.0000  0.5000  0.0000  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1898  0.5000  0.1225  1.0
  F  F4  8  0.0571  0.1717  0.7085  1.0
  F  F5  4  0.0960  0.0000  0.3113  1.0
]