data_[Sr8Al8Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9962]
_cell_length_b [6.4275]
_cell_length_c [8.7973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr2Al2Tl]
_chemical_formula_sum '[Sr8 Al8 Tl4]'
_cell_volume [602.1498]
_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
[
  Sr  Sr0  8  0.1456  0.3637  0.1437  1
  Al  Al1  8  0.1449  0.1426  0.4981  1
  Tl  Tl2  4  0.0000  0.1415  0.7500  1
]