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 [Pmma]
_cell_length_a [4.9041]
_cell_length_b [21.0683]
_cell_length_c [8.0433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ag3Te3F]
_chemical_formula_sum '[Ag6 Te6 F2]'
_cell_volume [831.0339]
_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  0.3597  0.9071  1
  Ag  Ag1  2  0.2500  0.5000  0.5854  1
  Te  Te2  4  0.2500  0.3560  0.2630  1
  Te  Te3  2  0.2500  0.5000  0.2422  1
  F  F4  2  0.2500  0.5000  0.8814  1
]