data_[Ag10Ge2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9387]
_cell_length_b [11.7216]
_cell_length_c [6.8813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5GeSe6]
_chemical_formula_sum '[Ag10 Ge2 Se12]'
_cell_volume [521.5727]
_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  0.1544  0.5000  1.0
  Ag  Ag1  4  0.0000  0.3259  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
  Se  Se4  8  0.2148  0.1570  0.2570  1.0
  Se  Se5  4  0.2349  0.5000  0.2043  1.0
]