data_[Ag6Te12]
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 [C2/m]
_cell_length_a [22.1341]
_cell_length_b [4.3085]
_cell_length_c [5.8063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgTe2]
_chemical_formula_sum '[Ag6 Te12]'
_cell_volume [549.4576]
_cell_formula_units_Z [6]
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  4  0.1609  0.5000  0.0857  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Te  Te2  4  0.0372  0.5000  0.8277  1.0
  Te  Te3  4  0.1275  0.0000  0.3785  1.0
  Te  Te4  4  0.2016  0.0000  0.7963  1.0
]