data_[Al2S4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1207]
_cell_length_b [7.9829]
_cell_length_c [8.1536]
_cell_angle_alpha [113.8221]
_cell_angle_beta [94.4555]
_cell_angle_gamma [98.4068]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al(SBr)2]
_chemical_formula_sum '[Al2 S4 Br4]'
_cell_volume [356.3937]
_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  2  0.0707  0.6946  0.7190  1.0
  S  S1  2  0.1059  0.0219  0.8206  1.0
  S  S2  2  0.1934  0.1285  0.1847  1.0
  Br  Br3  2  0.1960  0.6285  0.4302  1.0
  Br  Br4  2  0.3058  0.6407  0.9166  1.0
]