data_[Al2Tl10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5626]
_cell_length_b [3.4259]
_cell_length_c [8.2688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlTl5]
_chemical_formula_sum '[Al2 Tl10]'
_cell_volume [353.0916]
_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  0.0289  0.0000  0.0558  1
  Tl  Tl1  2  0.0648  0.5000  0.7626  1
  Tl  Tl2  2  0.1790  0.5000  0.2929  1
  Tl  Tl3  2  0.2870  0.0000  0.6323  1
  Tl  Tl4  2  0.3186  0.0000  0.0236  1
  Tl  Tl5  2  0.4551  0.5000  0.3995  1
]