data_[Al4Te8]
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 [16.8433]
_cell_length_b [4.0559]
_cell_length_c [6.6904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlTe2]
_chemical_formula_sum '[Al4 Te8]'
_cell_volume [442.1264]
_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  0.1879  0.5000  0.1156  1
  Te  Te1  4  0.1325  0.0000  0.3053  1
  Te  Te2  4  0.1481  0.0000  0.8012  1
]