data_[Ag8Ge1Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.1814]
_cell_length_b [8.1907]
_cell_length_c [8.3843]
_cell_angle_alpha [61.4682]
_cell_angle_beta [61.9087]
_cell_angle_gamma [61.7374]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ag8GeTe6]
_chemical_formula_sum '[Ag8 Ge1 Te6]'
_cell_volume [412.4523]
_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  0.0145  0.5942  0.0150  1.0
  Ag  Ag1  1  0.0221  0.0124  0.5504  1.0
  Ag  Ag2  1  0.1927  0.8161  0.2235  1.0
  Ag  Ag3  1  0.2021  0.2039  0.6067  1.0
  Ag  Ag4  1  0.2125  0.1995  0.9464  1.0
  Ag  Ag5  1  0.5895  0.0052  0.0193  1.0
  Ag  Ag6  1  0.5988  0.3740  0.9829  1.0
  Ag  Ag7  1  0.8477  0.1750  0.2381  1.0
  Ge  Ge8  1  0.5112  0.5012  0.5233  1.0
  Te  Te9  1  0.1238  0.6008  0.6245  1.0
  Te  Te10  1  0.2526  0.2600  0.2291  1.0
  Te  Te11  1  0.6030  0.1157  0.6244  1.0
  Te  Te12  1  0.6110  0.6074  0.1464  1.0
  Te  Te13  1  0.6609  0.6366  0.6190  1.0
  Te  Te14  1  0.9835  0.9936  0.9617  1.0
]