data_[Ag4Br16]
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 [C2/m]
_cell_length_a [7.5963]
_cell_length_b [17.0756]
_cell_length_c [6.8552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgBr4]
_chemical_formula_sum '[Ag4 Br16]'
_cell_volume [888.4014]
_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  0.2487  0.0000  1.0
  Br  Br1  8  0.2412  0.7512  0.7396  1.0
  Br  Br2  4  0.1658  0.5000  0.5943  1.0
  Br  Br3  4  0.1673  0.0000  0.0979  1.0
]