data_[Ag8Sn4Br16]
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 [P4_122]
_cell_length_a [8.5841]
_cell_length_b [8.5841]
_cell_length_c [12.0996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Ag2SnBr4]
_chemical_formula_sum '[Ag8 Sn4 Br16]'
_cell_volume [891.5922]
_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  0.2520  0.2520  0.3750  1
  Ag  Ag1  4  0.2671  0.5000  0.7500  1
  Sn  Sn2  4  0.0000  0.2620  0.0000  1
  Br  Br3  8  0.0119  0.2612  0.7514  1
  Br  Br4  8  0.2518  0.4924  0.9904  1
]