data_[Al8In2Ag2Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.8592]
_cell_length_b [11.8616]
_cell_length_c [8.9110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Al4InAgTe8]
_chemical_formula_sum '[Al8 In2 Ag2 Te16]'
_cell_volume [936.3938]
_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
[
  Al  Al0  4  0.2396  0.2498  0.2468  1.0
  Al  Al1  2  0.0000  0.0116  0.5000  1.0
  Al  Al2  2  0.0000  0.4895  0.0000  1.0
  In  In3  2  0.0000  0.4987  0.5000  1.0
  Ag  Ag4  2  0.0000  0.0002  0.0000  1.0
  Te  Te5  4  0.0060  0.6375  0.2349  1.0
  Te  Te6  4  0.0121  0.1363  0.7415  1.0
  Te  Te7  4  0.2323  0.8629  0.4911  1.0
  Te  Te8  4  0.2421  0.3635  0.9942  1.0
]