data_[Ag16Te4Br4]
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 [C2/c]
_cell_length_a [7.3648]
_cell_length_b [11.3216]
_cell_length_c [7.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag4TeBr]
_chemical_formula_sum '[Ag16 Te4 Br4]'
_cell_volume [535.6291]
_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  0.1230  0.2336  0.1148  1
  Ag  Ag1  8  0.2116  0.3827  0.4716  1
  Te  Te2  4  0.0000  0.3926  0.7500  1
  Br  Br3  4  0.0000  0.0431  0.7500  1
]