data_[Ag4S4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.3846]
_cell_length_b [5.0043]
_cell_length_c [7.5435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ag2S2F]
_chemical_formula_sum '[Ag4 S4 F2]'
_cell_volume [199.0343]
_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  0.2226  0.7500  0.9993  1
  Ag  Ag1  2  0.3787  0.2500  0.6614  1
  S  S2  2  0.2850  0.7500  0.5426  1
  S  S3  2  0.4814  0.2500  0.2016  1
  F  F4  2  0.0859  0.2500  0.8516  1
]