data_[Ag8Sb6Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3814]
_cell_length_b [11.1937]
_cell_length_c [8.0972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag4Sb3Se8]
_chemical_formula_sum '[Ag8 Sb6 Se16]'
_cell_volume [736.1704]
_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  4  0.2500  0.2500  0.0000  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  4  0.2500  0.2500  0.5000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  Se  Se5  4  0.0000  0.2295  0.0000  1.0
  Se  Se6  4  0.0000  0.2448  0.5000  1.0
  Se  Se7  4  0.2018  0.5000  0.4077  1.0
  Se  Se8  4  0.2261  0.0000  0.9994  1.0
]