data_[Ag12Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.7893]
_cell_length_b [7.9502]
_cell_length_c [12.9249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ag3Br4]
_chemical_formula_sum '[Ag12 Br16]'
_cell_volume [800.3936]
_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  4  0.0000  0.0000  0.5000  1
  Ag  Ag1  4  0.0000  0.2500  0.8739  1
  Ag  Ag2  4  0.2500  0.2500  0.2500  1
  Br  Br3  8  0.0000  0.0121  0.2563  1
  Br  Br4  8  0.2383  0.2500  0.4927  1
]