data_[Ag6Ge8Te16]
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 [C2/m]
_cell_length_a [11.6810]
_cell_length_b [11.7570]
_cell_length_c [8.2366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.2207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3(GeTe2)4]
_chemical_formula_sum '[Ag6 Ge8 Te16]'
_cell_volume [810.6485]
_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  0.2500  0.2500  0.0000  1.0
  Ag  Ag1  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  4  0.2500  0.2500  0.5000  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge4  2  0.0000  0.0000  0.5000  1.0
  Te  Te5  4  0.0000  0.2479  0.0000  1.0
  Te  Te6  4  0.0000  0.2490  0.5000  1.0
  Te  Te7  4  0.2440  0.0000  0.9963  1.0
  Te  Te8  4  0.2484  0.5000  0.4989  1.0
]