data_[Al4Sn4I4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6024]
_cell_length_b [9.6773]
_cell_length_c [10.6964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlSnIBr4]
_chemical_formula_sum '[Al4 Sn4 I4 Br16]'
_cell_volume [1389.8154]
_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
[
  Al  Al0  4  0.1930  0.5000  0.3379  1.0
  Sn  Sn1  4  0.1308  0.0000  0.2207  1.0
  I  I2  4  0.0868  0.0000  0.8997  1.0
  Br  Br3  8  0.1435  0.3130  0.1754  1.0
  Br  Br4  4  0.1236  0.5000  0.4830  1.0
  Br  Br5  4  0.1332  0.0000  0.5139  1.0
]