data_[Ag8Te4Se12]
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 [Cc]
_cell_length_a [7.2516]
_cell_length_b [12.1556]
_cell_length_c [8.2971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2361]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ag2TeSe3]
_chemical_formula_sum '[Ag8 Te4 Se12]'
_cell_volume [661.5586]
_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  4  0.1119  0.2060  0.0776  1.0
  Ag  Ag1  4  0.1619  0.4657  0.6258  1.0
  Te  Te2  4  0.1528  0.1426  0.6020  1.0
  Se  Se3  4  0.2018  0.2938  0.4051  1.0
  Se  Se4  4  0.2515  0.0288  0.9811  1.0
  Se  Se5  4  0.2598  0.3795  0.9494  1.0
]