data_[Al2In4Cl10]
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 [I4mm]
_cell_length_a [7.2499]
_cell_length_b [7.2499]
_cell_length_c [10.0768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [AlIn2Cl5]
_chemical_formula_sum '[Al2 In4 Cl10]'
_cell_volume [529.6414]
_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  0.0206  1.0
  In  In1  4  0.0000  0.5000  0.2940  1.0
  Cl  Cl2  8  0.2192  0.2192  0.9693  1.0
  Cl  Cl3  2  0.0000  0.0000  0.2371  1.0
]