data_[Ag12Sn8Br28]
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 [Cmc2_1]
_cell_length_a [26.3471]
_cell_length_b [7.6461]
_cell_length_c [7.4906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ag3Sn2Br7]
_chemical_formula_sum '[Ag12 Sn8 Br28]'
_cell_volume [1508.9957]
_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  0.2019  0.1912  0.7023  1
  Ag  Ag1  4  0.0000  0.2632  0.7541  1
  Sn  Sn2  8  0.1038  0.2634  0.2488  1
  Br  Br3  8  0.0778  0.0789  0.6025  1
  Br  Br4  8  0.1474  0.3997  0.9253  1
  Br  Br5  8  0.2075  0.1462  0.3400  1
  Br  Br6  4  0.0000  0.3994  0.0881  1
]