data_[Al4Tl12Te12]
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/m]
_cell_length_a [9.4338]
_cell_length_b [13.9659]
_cell_length_c [8.3098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al(TlTe)3]
_chemical_formula_sum '[Al4 Tl12 Te12]'
_cell_volume [1070.7157]
_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  4  0.1688  0.0000  0.1526  1.0
  Tl  Tl1  4  0.0000  0.1699  0.5000  1.0
  Tl  Tl2  4  0.0000  0.2425  0.0000  1.0
  Tl  Tl3  4  0.1037  0.5000  0.3620  1.0
  Te  Te4  8  0.1998  0.3465  0.7145  1.0
  Te  Te5  4  0.1107  0.0000  0.8235  1.0
]