data_[Al2Ag6Cl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9985]
_cell_length_b [6.2984]
_cell_length_c [5.1332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlAg3(ClF3)2]
_chemical_formula_sum '[Al2 Ag6 Cl4 F12]'
_cell_volume [387.3721]
_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
[
  Al  Al0  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
  Cl  Cl3  4  0.1860  0.5000  0.8290  1
  F  F4  8  0.0658  0.2135  0.3055  1
  F  F5  4  0.1249  0.0000  0.7113  1
]