data_[Sr4Ag4Ge8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1526]
_cell_length_b [13.2390]
_cell_length_c [14.4953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrAg(GeSe2)2]
_chemical_formula_sum '[Sr4 Ag4 Ge8 Se16]'
_cell_volume [796.8973]
_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
[
  Sr  Sr0  4  0.0000  0.1269  0.7500  1
  Ag  Ag1  4  0.0000  0.1528  0.2500  1
  Ge  Ge2  8  0.0000  0.3719  0.5547  1
  Se  Se3  8  0.0000  0.2733  0.1051  1
  Se  Se4  4  0.0000  0.0000  0.0000  1
  Se  Se5  4  0.0000  0.4591  0.7500  1
]