data_[Al8Tl12Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2858]
_cell_length_b [11.3479]
_cell_length_c [6.9064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2Tl3Te4]
_chemical_formula_sum '[Al8 Tl12 Te16]'
_cell_volume [1256.9672]
_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
[
  Al  Al0  8  0.2242  0.3787  0.0826  1.0
  Tl  Tl1  8  0.0939  0.1407  0.4435  1.0
  Tl  Tl2  4  0.0000  0.4725  0.7500  1.0
  Te  Te3  8  0.1236  0.2013  0.9411  1.0
  Te  Te4  8  0.1974  0.4043  0.4500  1.0
]