data_[Ag8Se6]
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 [P6]
_cell_length_a [11.7968]
_cell_length_b [11.7968]
_cell_length_c [15.6496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Ag4Se3]
_chemical_formula_sum '[Ag8 Se6]'
_cell_volume [1886.0961]
_cell_formula_units_Z [2]
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  6  0.0881  0.6353  0.5213  1
  Ag  Ag1  2  0.3333  0.6667  0.4970  1
  Se  Se2  6  0.1443  0.4322  0.4798  1
]