data_[Si4Ag8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8856]
_cell_length_b [6.5944]
_cell_length_c [7.0906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SiAg2Se3]
_chemical_formula_sum '[Si4 Ag8 Se12]'
_cell_volume [551.0602]
_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
[
  Si  Si0  4  0.0000  0.0991  0.7500  1
  Ag  Ag1  8  0.1625  0.3624  0.5669  1
  Se  Se2  8  0.1341  0.0461  0.1457  1
  Se  Se3  4  0.0000  0.4469  0.7500  1
]