data_[Ag8Te9]
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 [P31m]
_cell_length_a [11.9770]
_cell_length_b [11.9770]
_cell_length_c [18.6061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ag8Te9]
_chemical_formula_sum '[Ag8 Te9]'
_cell_volume [2311.4275]
_cell_formula_units_Z [1]
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  6  0.1478  0.7864  0.4820  1
  Ag  Ag1  2  0.3333  0.6667  0.6179  1
  Te  Te2  6  0.1338  0.5546  0.5167  1
  Te  Te3  3  0.0000  0.1623  0.4240  1
]