data_[Ba2Ag2Te1S1F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3881]
_cell_length_b [4.3881]
_cell_length_c [9.4647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ba2Ag2TeSF2]
_chemical_formula_sum '[Ba2 Ag2 Te1 S1 F2]'
_cell_volume [182.2432]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.0000  0.8291  1
  Ba  Ba1  1  0.5000  0.5000  0.1460  1
  Ag  Ag2  2  0.0000  0.5000  0.5182  1
  Te  Te3  1  0.0000  0.0000  0.3233  1
  S  S4  1  0.5000  0.5000  0.6861  1
  F  F5  2  0.0000  0.5000  0.9895  1
]