data_[Al4Ag4Ge2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1212]
_cell_length_b [10.5447]
_cell_length_c [7.4083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Ag2GeS6]
_chemical_formula_sum '[Al4 Ag4 Ge2 S12]'
_cell_volume [471.6662]
_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
[
  Al  Al0  4  0.0000  0.3422  0.5000  1
  Ag  Ag1  4  0.0000  0.1652  0.0000  1
  Ge  Ge2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.1300  0.1689  0.3205  1
  S  S4  4  0.1383  0.5000  0.3160  1
]