data_[Zr2Ag6I4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ag  1.9300  1.6000  1.0867
  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 [14.4366]
_cell_length_b [6.8155]
_cell_length_c [5.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrAg3(IF3)2]
_chemical_formula_sum '[Zr2 Ag6 I4 F12]'
_cell_volume [512.9262]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.5000  1
  Ag  Ag1  4  0.2500  0.2500  0.5000  1
  Ag  Ag2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1920  0.5000  0.1193  1
  F  F4  8  0.0481  0.2175  0.7376  1
  F  F5  4  0.1286  0.0000  0.3363  1
]