data_[Al2Tl4Sb2Te8]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.6338]
_cell_length_b [8.6338]
_cell_length_c [7.3586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [AlTl2SbTe4]
_chemical_formula_sum '[Al2 Tl4 Sb2 Te8]'
_cell_volume [548.5282]
_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  4  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  8  0.1756  0.8244  0.2829  1.0
]