data_[Ag8Sb8Se16]
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/c]
_cell_length_a [13.5934]
_cell_length_b [4.6293]
_cell_length_c [13.8387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgSbSe2]
_chemical_formula_sum '[Ag8 Sb8 Se16]'
_cell_volume [862.2498]
_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  4  0.0000  0.0250  0.2500  1.0
  Ag  Ag1  4  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  8  0.2427  0.4967  0.3730  1.0
  Se  Se3  8  0.1065  0.1384  0.9212  1.0
  Se  Se4  8  0.1406  0.3957  0.1932  1.0
]