data_[Al4Si8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8155]
_cell_length_b [14.7435]
_cell_length_c [6.7817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al(SiTe3)2]
_chemical_formula_sum '[Al4 Si8 Te24]'
_cell_volume [1252.7680]
_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  0.0000  0.2009  0.2500  1.0
  Si  Si1  8  0.2141  0.4222  0.3421  1.0
  Te  Te2  8  0.0917  0.0916  0.5975  1.0
  Te  Te3  8  0.1350  0.2798  0.1225  1.0
  Te  Te4  8  0.1502  0.4276  0.6428  1.0
]