data_[Al2In6Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3126]
_cell_length_b [8.5372]
_cell_length_c [12.7373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Al(InBr2)3]
_chemical_formula_sum '[Al2 In6 Br12]'
_cell_volume [683.9609]
_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  0.0000  0.0000  0.0000  1.0
  In  In1  4  0.3046  0.5782  0.2663  1.0
  In  In2  2  0.5000  0.0000  0.5000  1.0
  Br  Br3  4  0.1055  0.5578  0.7200  1.0
  Br  Br4  4  0.2206  0.2497  0.5680  1.0
  Br  Br5  4  0.3209  0.6554  0.5283  1.0
]