data_[Al2Ag16Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.4963]
_cell_length_b [8.3802]
_cell_length_c [11.4983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Al(Ag4Te3)2]
_chemical_formula_sum '[Al2 Ag16 Te12]'
_cell_volume [818.6888]
_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  2  0.0000  0.7311  0.5196  1
  Ag  Ag1  4  0.1790  0.5048  0.2400  1
  Ag  Ag2  4  0.2182  0.8543  0.1537  1
  Ag  Ag3  4  0.2218  0.9063  0.8721  1
  Ag  Ag4  2  0.0000  0.2343  0.4985  1
  Ag  Ag5  2  0.0000  0.3916  0.0328  1
  Te  Te6  4  0.2442  0.2472  0.8988  1
  Te  Te7  2  0.0000  0.2164  0.2555  1
  Te  Te8  2  0.0000  0.4861  0.6548  1
  Te  Te9  2  0.0000  0.7259  0.0053  1
  Te  Te10  2  0.0000  0.9698  0.6681  1
]