data_[Al2Tl2In4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8952]
_cell_length_b [8.2898]
_cell_length_c [12.2510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlTl(InCl3)2]
_chemical_formula_sum '[Al2 Tl2 In4 Cl12]'
_cell_volume [601.9620]
_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  0.5000  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  In  In2  4  0.3019  0.5645  0.7691  1.0
  Cl  Cl3  4  0.1122  0.5656  0.2117  1.0
  Cl  Cl4  4  0.2244  0.2339  0.5699  1.0
  Cl  Cl5  4  0.3093  0.6499  0.0188  1.0
]