data_[Ag14Ge2Se9]
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 [P-1]
_cell_length_a [7.5597]
_cell_length_b [8.3653]
_cell_length_c [10.1159]
_cell_angle_alpha [87.1830]
_cell_angle_beta [86.6928]
_cell_angle_gamma [65.3518]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag14Ge2Se9]
_chemical_formula_sum '[Ag14 Ge2 Se9]'
_cell_volume [580.2452]
_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  2  0.0292  0.8878  0.7489  1
  Ag  Ag1  2  0.0343  0.6061  0.5936  1
  Ag  Ag2  2  0.0578  0.6534  0.0356  1
  Ag  Ag3  2  0.2052  0.8221  0.4365  1
  Ag  Ag4  2  0.3159  0.0118  0.6525  1
  Ag  Ag5  2  0.3231  0.0797  0.0880  1
  Ag  Ag6  2  0.3689  0.7733  0.9081  1
  Ge  Ge7  2  0.3739  0.3290  0.6930  1
  Se  Se8  2  0.0069  0.3148  0.6924  1
  Se  Se9  2  0.2989  0.0866  0.3540  1
  Se  Se10  2  0.3284  0.3544  0.9450  1
  Se  Se11  2  0.3797  0.6461  0.6610  1
  Se  Se12  1  0.0000  0.0000  0.0000  1
]