data_[Si4Ag8Ge4Te16]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.4044]
_cell_length_b [9.8677]
_cell_length_c [12.2135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [SiAg2GeTe4]
_chemical_formula_sum '[Si4 Ag8 Ge4 Te16]'
_cell_volume [1012.8892]
_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  0.0000  0.4981  1.0
  Ag  Ag1  8  0.2500  0.2500  0.2408  1.0
  Ge  Ge2  4  0.0000  0.0000  0.9750  1.0
  Te  Te3  8  0.0000  0.2209  0.3939  1.0
  Te  Te4  8  0.2453  0.0000  0.6287  1.0
]