data_[Al12Te12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5439]
_cell_length_b [4.1261]
_cell_length_c [11.3263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlTe]
_chemical_formula_sum '[Al12 Te12]'
_cell_volume [848.7090]
_cell_formula_units_Z [12]
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  0.0642  0.5000  0.0886  1.0
  Al  Al1  4  0.1459  0.0000  0.4184  1.0
  Al  Al2  4  0.2397  0.0000  0.3103  1.0
  Te  Te3  4  0.0525  0.5000  0.3199  1.0
  Te  Te4  4  0.1481  0.0000  0.0648  1.0
  Te  Te5  4  0.1673  0.0000  0.6666  1.0
]