data_[Cu4Ag4Ge8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  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 [Fmm2]
_cell_length_a [8.6552]
_cell_length_b [9.8624]
_cell_length_c [11.4983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CuAg(GeTe2)2]
_chemical_formula_sum '[Cu4 Ag4 Ge8 Te16]'
_cell_volume [981.5006]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  4  0.0000  0.0000  0.5047  1.0
  Ag  Ag1  4  0.0000  0.0000  0.0078  1.0
  Ge  Ge2  8  0.2500  0.2500  0.2635  1.0
  Te  Te3  8  0.0000  0.2358  0.6132  1.0
  Te  Te4  8  0.2369  0.0000  0.3671  1.0
]