data_[Ag4Ge2Se6]
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 [Cm]
_cell_length_a [8.7252]
_cell_length_b [9.0186]
_cell_length_c [18.1916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ag2GeSe3]
_chemical_formula_sum '[Ag4 Ge2 Se6]'
_cell_volume [1431.4828]
_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  0.1060  0.3323  0.4796  1
  Ge  Ge1  2  0.3961  0.5000  0.5085  1
  Se  Se2  4  0.4198  0.2788  0.5692  1
  Se  Se3  2  0.2669  0.5000  0.3938  1
]