data_[Ag6Pb4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9887]
_cell_length_b [7.9223]
_cell_length_c [7.5501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag3(PbBr4)2]
_chemical_formula_sum '[Ag6 Pb4 Br16]'
_cell_volume [864.1566]
_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  0.2524  0.0000  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.2418  0.5000  0.6721  1.0
  Br  Br3  8  0.1178  0.2434  0.4177  1.0
  Br  Br4  4  0.1117  0.0000  0.9330  1.0
  Br  Br5  4  0.1134  0.5000  0.9400  1.0
]