data_[Al2Br3Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9880]
_cell_length_b [20.6729]
_cell_length_c [6.0718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al2(BrCl)3]
_chemical_formula_sum '[Al2 Br3 Cl3]'
_cell_volume [746.4102]
_cell_formula_units_Z [1]
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  0.9160  0.4209  0.8925  1
  Br  Br1  2  0.1597  0.3628  0.1231  1
  Br  Br2  1  0.7219  0.5000  0.1010  1
  Cl  Cl3  2  0.6853  0.3762  0.6541  1
  Cl  Cl4  1  0.1019  0.5000  0.7232  1
]