data_[Ag16Se8]
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 [7.4765]
_cell_length_b [5.4075]
_cell_length_c [13.6926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4254]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag2Se]
_chemical_formula_sum '[Ag16 Se8]'
_cell_volume [546.1124]
_cell_formula_units_Z [8]
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  0.0690  0.0206  0.4053  1.0
  Ag  Ag1  8  0.1940  0.2704  0.7368  1.0
  Se  Se2  8  0.2010  0.4951  0.4020  1.0
]