data_[Al2Te2I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.2878]
_cell_length_b [7.5802]
_cell_length_c [15.4195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [AlTeI7]
_chemical_formula_sum '[Al2 Te2 I14]'
_cell_volume [939.4393]
_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  0.3091  0.0085  0.1513  1.0
  Te  Te1  2  0.9834  0.3959  0.0048  1.0
  I  I2  2  0.0241  0.0963  0.1798  1.0
  I  I3  2  0.0328  0.3851  0.3698  1.0
  I  I4  2  0.3163  0.1420  0.9982  1.0
  I  I5  2  0.3448  0.3253  0.6536  1.0
  I  I6  2  0.5402  0.1544  0.2722  1.0
  I  I7  2  0.7359  0.4217  0.5599  1.0
  I  I8  2  0.7756  0.1529  0.8950  1.0
]