data_[Ag12Te9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [9.0724]
_cell_length_b [19.4982]
_cell_length_c [12.9697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Ag4Te3]
_chemical_formula_sum '[Ag12 Te9]'
_cell_volume [2217.7473]
_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  2  0.0885  0.4697  0.3054  1
  Ag  Ag1  2  0.2501  0.4740  0.8096  1
  Ag  Ag2  2  0.2880  0.5552  0.6270  1
  Ag  Ag3  2  0.3550  0.5402  0.2761  1
  Ag  Ag4  1  0.0000  0.5020  0.5000  1
  Ag  Ag5  1  0.0000  0.5159  0.0000  1
  Ag  Ag6  1  0.5000  0.4876  0.0000  1
  Ag  Ag7  1  0.5000  0.5773  0.5000  1
  Te  Te8  2  0.0771  0.3613  0.7822  1
  Te  Te9  2  0.1901  0.5892  0.4147  1
  Te  Te10  2  0.2656  0.4545  0.0968  1
  Te  Te11  2  0.4391  0.5853  0.8290  1
  Te  Te12  1  0.0000  0.3585  0.0000  1
]