data_[Ag2Ge1Se5]
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 [P1]
_cell_length_a [5.3306]
_cell_length_b [6.7141]
_cell_length_c [7.2157]
_cell_angle_alpha [70.2163]
_cell_angle_beta [74.8117]
_cell_angle_gamma [74.1567]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag2GeSe5]
_chemical_formula_sum '[Ag2 Ge1 Se5]'
_cell_volume [229.6386]
_cell_formula_units_Z [1]
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  1  0.1850  0.7217  0.5506  1
  Ag  Ag1  1  0.5610  0.0054  0.6558  1
  Ge  Ge2  1  0.9346  0.9542  0.0917  1
  Se  Se3  1  0.2639  0.3519  0.7999  1
  Se  Se4  1  0.3786  0.7192  0.9851  1
  Se  Se5  1  0.6427  0.6930  0.2171  1
  Se  Se6  1  0.8634  0.2464  0.7899  1
  Se  Se7  1  0.9477  0.0852  0.3559  1
]