data_[Ag12Ge6Te15]
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 [R-3m]
_cell_length_a [4.3286]
_cell_length_b [4.3286]
_cell_length_c [57.5569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ag4Ge2Te5]
_chemical_formula_sum '[Ag12 Ge6 Te15]'
_cell_volume [933.9371]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3184  1.0
  Ag  Ag1  6  0.0000  0.0000  0.4172  1.0
  Ge  Ge2  6  0.0000  0.0000  0.1372  1.0
  Te  Te3  6  0.0000  0.0000  0.2253  1.0
  Te  Te4  6  0.0000  0.0000  0.3694  1.0
  Te  Te5  3  -0.0000  -0.0000  0.5000  1.0
]