data_[Al2Tl4In2Te8]
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
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.9350]
_cell_length_b [10.3157]
_cell_length_c [7.6696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.8689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [AlTl2InTe4]
_chemical_formula_sum '[Al2 Tl4 In2 Te8]'
_cell_volume [603.2858]
_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  0.2775  0.0000  1.0
  Tl  Tl1  2  0.0000  0.6930  0.0000  1.0
  Tl  Tl2  2  0.0000  0.9509  0.5000  1.0
  In  In3  2  0.0000  0.5276  0.5000  1.0
  Te  Te4  4  0.1946  0.4101  0.9378  1.0
  Te  Te5  4  0.2176  0.1719  0.4127  1.0
]