data_[Ag10Ge2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [6.7084]
_cell_length_b [11.1737]
_cell_length_c [6.5973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5GeS6]
_chemical_formula_sum '[Ag10 Ge2 S12]'
_cell_volume [459.6694]
_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
[
  Ag  Ag0  4  0.0000  0.1506  0.5000  1.0
  Ag  Ag1  4  0.0000  0.3253  0.0000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2078  0.1526  0.2528  1.0
  S  S5  4  0.2424  0.5000  0.1922  1.0
]