data_[Ag6Sn4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9067]
_cell_length_b [8.3375]
_cell_length_c [7.0145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3(SnBr4)2]
_chemical_formula_sum '[Ag6 Sn4 Br16]'
_cell_volume [846.5243]
_cell_formula_units_Z [2]
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  0.2525  0.0000  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  4  0.2094  0.5000  0.6901  1.0
  Br  Br3  8  0.1156  0.2446  0.4382  1.0
  Br  Br4  4  0.1059  0.0000  0.9223  1.0
  Br  Br5  4  0.1181  0.5000  0.9417  1.0
]