data_[Ag6Te6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.8954]
_cell_length_b [19.6066]
_cell_length_c [9.9881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ag3Te3F]
_chemical_formula_sum '[Ag6 Te6 F2]'
_cell_volume [1255.7718]
_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  0.2053  0.0885  0.7875  1
  Ag  Ag1  2  0.7226  0.0030  0.0063  1
  Ag  Ag2  2  0.7832  0.0876  0.7710  1
  Te  Te3  2  0.1119  0.0563  0.0279  1
  Te  Te4  2  0.1375  0.0854  0.5011  1
  Te  Te5  2  0.5341  0.1175  0.4979  1
  F  F6  2  0.5542  0.1030  0.9083  1
]