data_[Ag16Se4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.1269]
_cell_length_b [8.1269]
_cell_length_c [8.0479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Ag4SeF]
_chemical_formula_sum '[Ag16 Se4 F4]'
_cell_volume [531.5349]
_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  8  0.0000  0.2733  0.7699  1
  Ag  Ag1  8  0.0000  0.3234  0.2376  1
  Se  Se2  4  0.0000  0.0000  0.2812  1
  F  F3  4  0.0000  0.0000  0.7039  1
]