data_[Ag12S4F4]
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 [C2/m]
_cell_length_a [15.8298]
_cell_length_b [4.6740]
_cell_length_c [5.0971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3SF]
_chemical_formula_sum '[Ag12 S4 F4]'
_cell_volume [365.3551]
_cell_formula_units_Z [4]
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  0.0597  0.0000  0.8004  1.0
  Ag  Ag1  4  0.0748  0.5000  0.3854  1.0
  Ag  Ag2  4  0.2490  0.5000  0.8057  1.0
  S  S3  4  0.1089  0.5000  0.9153  1.0
  F  F4  4  0.1518  0.0000  0.4255  1.0
]