data_[Al4In12Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.8934]
_cell_length_b [15.9775]
_cell_length_c [7.6503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Al(InCl2)3]
_chemical_formula_sum '[Al4 In12 Cl24]'
_cell_volume [1453.7607]
_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  0.0000  0.1941  0.9717  1
  In  In1  8  0.2019  0.0914  0.5314  1
  In  In2  4  0.0000  0.4047  0.5458  1
  Cl  Cl3  8  0.1484  0.2497  0.8563  1
  Cl  Cl4  8  0.1578  0.4953  0.2833  1
  Cl  Cl5  4  0.0000  0.0617  0.9052  1
  Cl  Cl6  4  0.0000  0.2110  0.2501  1
]