data_[Ag12Se4F8]
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 [Pnma]
_cell_length_a [7.4061]
_cell_length_b [5.2862]
_cell_length_c [10.9421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ag3SeF2]
_chemical_formula_sum '[Ag12 Se4 F8]'
_cell_volume [428.3875]
_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  0.1205  0.2500  0.4189  1
  Ag  Ag1  4  0.1416  0.2500  0.7562  1
  Ag  Ag2  4  0.1464  0.2500  0.0851  1
  Se  Se3  4  0.1178  0.7500  0.0727  1
  F  F4  4  0.1038  0.7500  0.3893  1
  F  F5  4  0.1175  0.7500  0.7174  1
]