data_[Ag6Se9]
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 [P1]
_cell_length_a [8.7034]
_cell_length_b [10.1292]
_cell_length_c [18.8228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [112.1912]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2Se3]
_chemical_formula_sum '[Ag6 Se9]'
_cell_volume [1536.4795]
_cell_formula_units_Z [3]
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  1  0.0472  0.9001  0.4647  1
  Ag  Ag1  1  0.2664  0.7707  0.5208  1
  Ag  Ag2  1  0.4645  0.4776  0.5964  1
  Ag  Ag3  1  0.6171  0.9240  0.4859  1
  Ag  Ag4  1  0.7259  0.3564  0.4343  1
  Ag  Ag5  1  0.8499  0.4670  0.5709  1
  Se  Se6  1  0.1714  0.5144  0.5650  1
  Se  Se7  1  0.2113  0.4470  0.4449  1
  Se  Se8  1  0.3735  0.9986  0.4448  1
  Se  Se9  1  0.4330  0.2366  0.4972  1
  Se  Se10  1  0.5669  0.6565  0.4899  1
  Se  Se11  1  0.5707  0.2738  0.6129  1
  Se  Se12  1  0.8290  0.6378  0.4584  1
  Se  Se13  1  0.9208  0.0864  0.5040  1
  Se  Se14  1  0.9522  0.2530  0.4098  1
]