data_[Al2Tl1Au1Cl8]
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
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1561]
_cell_length_b [7.1561]
_cell_length_c [9.0460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Al2TlAuCl8]
_chemical_formula_sum '[Al2 Tl1 Au1 Cl8]'
_cell_volume [401.1741]
_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  0.3333  0.6667  0.2829  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  6  0.1675  0.3350  0.2047  1.0
  Cl  Cl4  2  0.3333  0.6667  0.5191  1.0
]