data_[Ag16Te2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0723]
_cell_length_b [4.2472]
_cell_length_c [7.1009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag8TeSe2]
_chemical_formula_sum '[Ag16 Te2 Se4]'
_cell_volume [440.4178]
_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  0.0420  0.0000  0.7070  1.0
  Ag  Ag1  4  0.0923  0.5000  0.4652  1.0
  Ag  Ag2  4  0.1387  0.0000  0.2081  1.0
  Ag  Ag3  4  0.1815  0.5000  0.9068  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.2281  0.0000  0.6892  1.0
]