data_[Ag24Sb8Te26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [12.3568]
_cell_length_b [12.3568]
_cell_length_c [12.3568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Ag12Sb4Te13]
_chemical_formula_sum '[Ag24 Sb8 Te26]'
_cell_volume [1886.7676]
_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  12  0.0000  0.0000  0.2208  1
  Ag  Ag1  12  0.0000  0.2500  0.5000  1
  Sb  Sb2  8  0.2317  0.2317  0.2317  1
  Te  Te3  24  0.1207  0.1207  0.6387  1
  Te  Te4  2  0.0000  0.0000  0.0000  1
]