data_[Al4Ag2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [12.5061]
_cell_length_b [10.0608]
_cell_length_c [6.8841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2AgBr8]
_chemical_formula_sum '[Al4 Ag2 Br16]'
_cell_volume [866.0861]
_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
[
  Al  Al0  4  0.2150  0.0000  0.3314  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1122  0.1791  0.1957  1.0
  Br  Br3  4  0.1152  0.5000  0.7803  1.0
  Br  Br4  4  0.2036  0.0000  0.6640  1.0
]