data_[Ag12Se8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7209]
_cell_length_b [6.8398]
_cell_length_c [7.1132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag3Se2]
_chemical_formula_sum '[Ag12 Se8]'
_cell_volume [462.0794]
_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  0.1322  0.3774  0.2683  1.0
  Ag  Ag1  4  0.0000  0.0013  0.2500  1.0
  Se  Se2  8  0.1243  0.2521  0.6363  1.0
]