data_[Ag8Se4]
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 [4.7424]
_cell_length_b [8.0467]
_cell_length_c [21.1302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.2607]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2Se]
_chemical_formula_sum '[Ag8 Se4]'
_cell_volume [799.8645]
_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  1  0.0844  0.7344  0.3979  1
  Ag  Ag1  1  0.3390  0.8548  0.5244  1
  Ag  Ag2  1  0.3519  0.3693  0.3861  1
  Ag  Ag3  1  0.3572  0.2482  0.5347  1
  Ag  Ag4  1  0.6938  0.0552  0.6152  1
  Ag  Ag5  1  0.8706  0.4100  0.4690  1
  Ag  Ag6  1  0.8744  0.0313  0.4752  1
  Ag  Ag7  1  0.8786  0.6905  0.6024  1
  Se  Se8  1  0.3706  0.0175  0.4178  1
  Se  Se9  1  0.4066  0.7756  0.6403  1
  Se  Se10  1  0.8715  0.4618  0.3502  1
  Se  Se11  1  0.9014  0.3512  0.5866  1
]