data_[Ag12Te4Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7801]
_cell_length_b [12.5597]
_cell_length_c [7.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ag3TeBr2]
_chemical_formula_sum '[Ag12 Te4 Br8]'
_cell_volume [676.5734]
_cell_formula_units_Z [4]
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  8  0.0133  0.0727  0.7406  1
  Ag  Ag1  4  0.2473  0.2500  0.1551  1
  Te  Te2  4  0.2411  0.7500  0.3133  1
  Br  Br3  8  0.2427  0.0824  0.3748  1
]